Geometry & MOs

Info

ID:	46690
PubChem CID:	10526291
Reduced:	NO7C22H33 (1)
Stoich.:	AB7C22D33 (1)
Weight, g/mol:	423.171559
ΔH_f, kcal/mol:	-336.59
Dipole, Da:	2.75
IP(EA), eV:	-9.79(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (2S)-2-[[3-(3-acetylsulfanylpropyl)benzoyl]amino]pentanedioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H](CCCO)N(C(=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C

DOS

IR

Vibrations