Geometry & MOs

Info

ID:	311361
PubChem CID:	126591071
Reduced:	NOC4H7 (2)
Stoich.:	ABC4D7 (2)
Weight, g/mol:	526.178998
ΔH_f, kcal/mol:	-70.37
Dipole, Da:	3.04
IP(EA), eV:	-9.17(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl (2S)-2-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CNC(=O)OCC1[C@H]2[C@@H]1CNC2

DOS

IR

Vibrations