Geometry & MOs

Info

ID:	168961
PubChem CID:	75046334
Reduced:	SO4N5H17C20 (1)
Stoich.:	AB4C5D17E20 (1)
Weight, g/mol:	602.204446
ΔH_f, kcal/mol:	-8.74
Dipole, Da:	7.11
IP(EA), eV:	-8.85(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-(2-methoxyethoxy)quinazolin-6-yl]-1-prop-2-enoylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC(=O)C2C(C(=C(S2)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations