Geometry & MOs

Info

ID:

191073

PubChem CID:

78102021

Reduced:

ClNC24H28 (1)

Stoich.:

ABC24D28 (1)

Weight, g/mol:

834.424858

ΔHf, kcal/mol:

47.9

Dipole, Da:

2.14

IP(EA), eV:

 -8.9(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[7-[4-[2-[1-[2-(methoxycarbonylamino)-3-methylpentanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1(C2CC1C=C(C2)CN(C)CC3=CC=C(C=C3)C4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations