Geometry & MOs

Info

ID:	302264
PubChem CID:	124360949
Reduced:	N3O6C18H23 (1)
Stoich.:	A3B6C18D23 (1)
Weight, g/mol:	377.158685
ΔH_f, kcal/mol:	-261.22
Dipole, Da:	6.03
IP(EA), eV:	-9.9(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)O)NC(=O)[C@@H](CC(C)C)N1C(=O)C2=CC=CC=C2NC1=O)O

DOS

IR

Vibrations