Geometry & MOs

Info

ID:	146586
PubChem CID:	53708887
Reduced:	NO2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	634.303636
ΔH_f, kcal/mol:	-45.08
Dipole, Da:	7.3
IP(EA), eV:	-8.7(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[[(3S)-2-hydroxy-4-phenyl-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butyl]-(2-methylpropyl)sulfamoyl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CNC1=CC2=C(C=C1)C=CC(=O)O2

DOS

IR

Vibrations