Geometry & MOs

Info

ID:	141824
PubChem CID:	52934014
Reduced:	SN3O4H17C20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	458.087175
ΔH_f, kcal/mol:	-35.49
Dipole, Da:	10.65
IP(EA), eV:	-8.88(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-methyl-4-(trifluoromethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)S(=O)(=O)N2CCOC3=C2C=C(C=C3)C4=CN=C(C=C4)C#N

DOS

IR

Vibrations