Geometry & MOs

Info

ID:	244482
PubChem CID:	99355691
Reduced:	BrSO3N4H15C16 (1)
Stoich.:	ABC3D4E15F16 (1)
Weight, g/mol:	467.042119
ΔH_f, kcal/mol:	-7.16
Dipole, Da:	2.66
IP(EA), eV:	-8.76(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(difluoromethylsulfonyl)phenyl]sulfonylamino]-N-pyridin-4-ylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CN(N=C2)CC3=CN=CC=C3)Br

DOS

IR

Vibrations