Geometry & MOs

Info

ID:	188703
PubChem CID:	77757652
Reduced:	ON3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	713.227071
ΔH_f, kcal/mol:	16.34
Dipole, Da:	5.66
IP(EA), eV:	-8.26(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-3-[1-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxo-7-(phenylmethoxycarbonylamino)heptyl]benzoic acid

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=CC=CC(=C1)C2C3CC4=CC=CC=C4C3NN2

DOS

IR

Vibrations