Geometry & MOs

Info

ID:

190031

PubChem CID:

77943491

Reduced:

O4N9C42H55 (1)

Stoich.:

A4B9C42D55 (1)

Weight, g/mol:

855.443181

ΔHf, kcal/mol:

-129.03

Dipole, Da:

5.31

IP(EA), eV:

 -8.52(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[4-[4-[2-[1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)N7CCC(CC7)(C)O)N

DOS

IR

Vibrations