Geometry & MOs

Info

ID:	159476
PubChem CID:	57288125
Reduced:	NS4C34H55 (1)
Stoich.:	AB4C34D55 (1)
Weight, g/mol:	452.140593
ΔH_f, kcal/mol:	-36.05
Dipole, Da:	2.03
IP(EA), eV:	-8.06(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone

Drug info:

PubChemData

Smile

CCCCCCCCSCCSCC1CN(C2=CC=CC3=C2C1=CC=C3)CSCCSCCCCCCCC

DOS

IR

Vibrations