Geometry & MOs

Info

ID:	322678
PubChem CID:	126670798
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	738.385331
ΔH_f, kcal/mol:	-24.32
Dipole, Da:	4.17
IP(EA), eV:	-7.67(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S)-2-[5-[(5E)-5-[[amino-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]methylidene]amino]-6-phenylocta-5,7-dien-1,3-diynyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

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

CC(C)C1=C(C2=C(O1)OC3=CC=CC=C3N2C(C)C)N

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

CC(C)C1=C(C2=C(O1)OC3=CC=CC=C3N2C(C)C)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):