Geometry & MOs

Info

ID:	171503
PubChem CID:	75384464
Reduced:	ON2S2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	335.166748
ΔH_f, kcal/mol:	-23.63
Dipole, Da:	5.48
IP(EA), eV:	-9.01(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1-methylpyrazol-4-yl)propyl]-3-(propan-2-ylsulfonylmethyl)aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(C(C)C)NCC2=CC(=CS2)C(=O)N

DOS

IR

Vibrations