Geometry & MOs

Info

ID:	302263
PubChem CID:	124360927
Reduced:	N3O5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	377.158685
ΔH_f, kcal/mol:	-224.45
Dipole, Da:	5.1
IP(EA), eV:	-9.67(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NC(=O)CCCCCN1C(=O)[C@H]2CC3=CC=CC=C3CN2C1=O

DOS

IR

Vibrations