Geometry & MOs

Info

ID:

190180

PubChem CID:

77963197

Reduced:

O4N8C43H60 (1)

Stoich.:

A4B8C43D60 (1)

Weight, g/mol:

766.453017

ΔHf, kcal/mol:

-126.9

Dipole, Da:

4.65

IP(EA), eV:

 -8.47(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-[5-[4-[4-[2-[1-[4-(diethylamino)cyclohexanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclohexa-1,3-dien-1-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCN(CC)C1CCC(CC1)C(=O)N2CCCC2C3=NC=C(N3)C4CC=C(C=C4)C5=CCC(C=C5)C6=CN=C(N6)C7CCCN7C(=O)C(C(C)C)NC(=O)O

DOS

IR

Vibrations