Geometry & MOs

Info

ID:	351156
PubChem CID:	127279714
Reduced:	NSO2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-80.62
Dipole, Da:	3.31
IP(EA), eV:	-9.13(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexylsulfonyl-N-(1-ethylindazol-6-yl)-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1CCCN(CC1)C(=O)C2=CC3=C(S2)CCOC3

DOS

IR

Vibrations