Geometry & MOs

Info

ID:	186672
PubChem CID:	77465353
Reduced:	NO2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	775.372718
ΔH_f, kcal/mol:	-127.08
Dipole, Da:	1.7
IP(EA), eV:	-8.66(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-methyl-1-[2-[5-[7-[2-[1-(3-methylpentanoyl)pyrrolidin-2-yl]-4,5-dihydro-1H-imidazol-5-yl]-10,10-dioxophenoxathiin-2-yl]-4,5-dihydro-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-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

CC1CCCN(C1)CCOC(=O)C(C)(C)C

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

CC1CCCN(C1)CCOC(=O)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):