Geometry & MOs

Info

ID:	445193
PubChem CID:	135264856
Reduced:	OSH16C23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	536.155198
ΔH_f, kcal/mol:	69.18
Dipole, Da:	3.03
IP(EA), eV:	-8.41(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]-4-phenylbutanamide

Drug info:

PubChemData

Smile

C/C=C(\C=C)/C1=CC2=C(C=C1)SC3=C2C=C4C5=CC=CC=C5OC4=C3

DOS

IR

Vibrations