Geometry & MOs

Info

ID:

178834

PubChem CID:

76387736

Reduced:

N8O8C53H68 (1)

Stoich.:

A8B8C53D68 (1)

Weight, g/mol:

897.453745

ΔHf, kcal/mol:

-261.98

Dipole, Da:

5.92

IP(EA), eV:

 -7.98(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[2-[6-[5-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-[4-(1,3-oxazol-2-yl)phenyl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate

Drug info:

PubChemData

Smile

CCC1(COC1)COC2=CC=C(C=C2)N3C(CCC3C4=CC5=C(C=C4)N=C(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)C7=CC8=C(C=C7)N=C(N8)C9CCCN9C(=O)C(CC(=O)OC)C(C)C

DOS

IR

Vibrations