Geometry & MOs

Info

ID:

191796

PubChem CID:

78188145

Reduced:

N2O3C23H27 (2)

Stoich.:

A2B3C23D27 (2)

Weight, g/mol:

730.373035

ΔHf, kcal/mol:

-189.59

Dipole, Da:

5.88

IP(EA), eV:

 -9.29(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(C1C(=O)NC(CC2=CC=CC=C2)C(C(C(CC3=CC=CC=C3)NC(=O)C4C(C4(C)C)C(=O)NCC5=CC=CC=C5)O)O)C(=O)NCC6=CC=CC=C6)C

DOS

IR

Vibrations