Geometry & MOs

Info

ID:

191795

PubChem CID:

78187909

Reduced:

N3O3H25C26 (1)

Stoich.:

A3B3C25D26 (1)

Weight, g/mol:

758.404335

ΔHf, kcal/mol:

-42.48

Dipole, Da:

2.84

IP(EA), eV:

 -8.69(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-benzyl-2-N-[5-[[3-(benzylcarbamoyl)-2,2-dimethylcyclopropanecarbonyl]amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]-3,3-dimethylcyclopropane-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C1CN(CC1=O)C(=O)C(CC2=CC=CC=C2)NC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations