Geometry & MOs

Info

ID:

190254

PubChem CID:

77977692

Reduced:

S2N4O8C25H26 (1)

Stoich.:

A2B4C8D25E26 (1)

Weight, g/mol:

553.278801

ΔHf, kcal/mol:

-194.65

Dipole, Da:

11.42

IP(EA), eV:

 -9.15(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]-(2,3-dihydro-1H-inden-2-yl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

C1CCOC(C1)(NC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])O

DOS

IR

Vibrations