Geometry & MOs

Info

ID:	302239
PubChem CID:	124360846
Reduced:	N2O7C29H30 (1)
Stoich.:	A2B7C29D30 (1)
Weight, g/mol:	464.172956
ΔH_f, kcal/mol:	-191.99
Dipole, Da:	7.35
IP(EA), eV:	-8.6(-0.95)
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]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NC(=O)C4=CC(=CC=C4)OC)OC)OC)OC

DOS

IR

Vibrations