Geometry & MOs

Info

ID:	63862
PubChem CID:	26759347
Reduced:	BrN2S2O4C16H17 (1)
Stoich.:	AB2C2D4E16F17 (1)
Weight, g/mol:	456.116664
ΔH_f, kcal/mol:	-99.76
Dipole, Da:	4.47
IP(EA), eV:	-9.51(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethoxy)-3-methoxy-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations