Geometry & MOs

Info

ID:	302256
PubChem CID:	124360910
Reduced:	SN4O6C20H26 (1)
Stoich.:	AB4C6D20E26 (1)
Weight, g/mol:	450.157306
ΔH_f, kcal/mol:	-256.02
Dipole, Da:	9.78
IP(EA), eV:	-8.86(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations