Geometry & MOs

Info

ID:	43967
PubChem CID:	10322529
Reduced:	SN3F4O4H17C20 (1)
Stoich.:	AB3C4D4E17F20 (1)
Weight, g/mol:	471.20055
ΔH_f, kcal/mol:	-279.06
Dipole, Da:	3.29
IP(EA), eV:	-9.2(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3S)-3,6-bis(phenylmethoxycarbonylamino)hexanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCC(=O)NS(=O)(=O)C1=CC(=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC)F

DOS

IR

Vibrations