Geometry & MOs

Info

ID:	395612
PubChem CID:	135026014
Reduced:	NSO2H21C22 (1)
Stoich.:	ABC2D21E22 (1)
Weight, g/mol:	490.150463
ΔH_f, kcal/mol:	-7.81
Dipole, Da:	5.01
IP(EA), eV:	-8.87(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3Z)-3-[(4S)-4-[[(S)-tert-butylsulfinyl]amino]-5,5-difluoropentan-2-ylidene]-5-chloro-2-oxoindole-1-carboxylate

Drug info:

PubChemData

Smile

CC=C(C1=CC=CC=C1)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations