Geometry & MOs

Info

ID:	230485
PubChem CID:	87571028
Reduced:	BSO9C15H25 (1)
Stoich.:	ABC9D15E25 (1)
Weight, g/mol:	909.490131
ΔH_f, kcal/mol:	-412.77
Dipole, Da:	4.32
IP(EA), eV:	-9.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2S)-2-[5-[4-[(2S,5S)-1-(4-cyclopropylphenyl)-5-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrrolidin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

B(O)(O)OO.CCCCCCCCC(=O)OC1=CC=CC=C1S(=O)(=O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

B(O)(O)OO.CCCCCCCCC(=O)OC1=CC=CC=C1S(=O)(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):