Geometry & MOs

Info

ID:	67758
PubChem CID:	46507109
Reduced:	NSO2C14H14 (2)
Stoich.:	ABC2D14E14 (2)
Weight, g/mol:	480.097763
ΔH_f, kcal/mol:	-107.95
Dipole, Da:	6.37
IP(EA), eV:	-8.21(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-amino-4-(2,4-dimethylphenyl)sulfonyl-5-(2-fluoroanilino)thiophen-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)C2=C(C(=C(S2)NC3=CC=CC=C3OC)S(=O)(=O)C4=C(C=C(C=C4)C)C)N)C

DOS

IR

Vibrations