Geometry & MOs

Info

ID:	244595
PubChem CID:	99368099
Reduced:	SO2N5C21H25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	453.201219
ΔH_f, kcal/mol:	-38.65
Dipole, Da:	7.22
IP(EA), eV:	-9.16(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NCCC(=O)NC3=CN=CC=C3

DOS

IR

Vibrations