Geometry & MOs

Info

ID:	36258
PubChem CID:	7982719
Reduced:	SN2O4C22H34 (1)
Stoich.:	AB2C4D22E34 (1)
Weight, g/mol:	403.060484
ΔH_f, kcal/mol:	-196.04
Dipole, Da:	5.12
IP(EA), eV:	-8.48(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)N[C@H](CCSC)C(=O)OCC(=O)NC(C)(C)C

DOS

IR

Vibrations