Geometry & MOs

Info

ID:	302499
PubChem CID:	124361971
Reduced:	FN2O3H21C28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	466.185235
ΔH_f, kcal/mol:	6.53
Dipole, Da:	6.82
IP(EA), eV:	-8.48(-0.66)
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-methylpentanoyl]amino]-2-phenylacetic acid

Drug info:

PubChemData

Smile

CC(=O)[C@@H]1[C@@H]([C@]2([C@H]3N1C4=CC=CC=C4C=C3)C5=CC=CC=C5NC2=O)C(=O)C6=CC=C(C=C6)F

DOS

IR

Vibrations