Geometry & MOs

Info

ID:	302277
PubChem CID:	124361017
Reduced:	SN4O6C21H28 (1)
Stoich.:	AB4C6D21E28 (1)
Weight, g/mol:	363.143035
ΔH_f, kcal/mol:	-264.95
Dipole, Da:	1.2
IP(EA), eV:	-8.79(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C(=O)O)NC(=O)[C@@H](CCSC)NC(=O)CN1C(=O)C2=CC=CC=C2NC1=O

DOS

IR

Vibrations