Geometry & MOs

Info

ID:	182162
PubChem CID:	76854687
Reduced:	FOS2N5C24H28 (1)
Stoich.:	ABC2D5E24F28 (1)
Weight, g/mol:	433.146013
ΔH_f, kcal/mol:	-3.0
Dipole, Da:	6.3
IP(EA), eV:	-8.34(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[(4-methylphenyl)-phenylmethyl]propanamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC3C2C(=O)NC(N3)C(C)SC4=NN=C(N4C5CC5)C6=CC=CC=C6F

DOS

IR

Vibrations