Geometry & MOs

Info

ID:	302276
PubChem CID:	124360981
Reduced:	N4O6C17H22 (1)
Stoich.:	A4B6C17D22 (1)
Weight, g/mol:	464.172956
ΔH_f, kcal/mol:	-245.07
Dipole, Da:	5.79
IP(EA), eV:	-9.2(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)N1CC(=O)NC2=CC=CC=C21

DOS

IR

Vibrations