Geometry & MOs

Info

ID:

191783

PubChem CID:

78187897

Reduced:

N2O5H23C24 (2)

Stoich.:

A2B5C23D24 (2)

Weight, g/mol:

874.25362

ΔHf, kcal/mol:

-300.18

Dipole, Da:

4.75

IP(EA), eV:

 -9.07(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[2-chloro-6-[[5-[[3-chloro-2-(phenylmethoxycarbonylamino)benzoyl]amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]carbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(C(C(CC2=CC=CC=C2)NC(=O)C3=C(C(=CC=C3)O)NC(=O)OCC4=CC=CC=C4)O)O)NC(=O)C5=C(C(=CC=C5)O)NC(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations