Geometry & MOs

Info

ID:	185204
PubChem CID:	77269370
Reduced:	ClSO3N6H29C30 (1)
Stoich.:	ABC3D6E29F30 (1)
Weight, g/mol:	546.178231
ΔH_f, kcal/mol:	-3.11
Dipole, Da:	6.22
IP(EA), eV:	-8.64(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-methoxyquinazolin-6-yl]-2-(prop-2-enoylamino)butanamide

Drug info:

PubChemData

Smile

CCSC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)NC(=O)C5CCCN5C(=O)C=C

DOS

IR

Vibrations