Geometry & MOs

Info

ID:	66167
PubChem CID:	46500362
Reduced:	SN3O3H17C20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	463.112582
ΔH_f, kcal/mol:	19.34
Dipole, Da:	5.73
IP(EA), eV:	-8.7(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[[4-(difluoromethyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]amino]sulfamoyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)SC3=CC=CC=N3)[N+](=O)[O-])C

DOS

IR

Vibrations