Geometry & MOs

Info

ID:	82412
PubChem CID:	49856002
Reduced:	N2O7C21H22 (1)
Stoich.:	A2B7C21D22 (1)
Weight, g/mol:	495.22704
ΔH_f, kcal/mol:	-240.01
Dipole, Da:	3.68
IP(EA), eV:	-8.98(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,3-dimethyl-4-oxoquinazolin-6-yl)methyl-(3-methylbut-2-enoyl)amino]-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CN1[C@@H]([C@@H](C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC=CC=C3NC(=O)OC

DOS

IR

Vibrations