Geometry & MOs

Info

ID:	243109
PubChem CID:	99215692
Reduced:	NO2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	452.112996
ΔH_f, kcal/mol:	-152.52
Dipole, Da:	4.86
IP(EA), eV:	-8.67(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)N2CCC(CC2)NC(=O)CCCCC3=CC=C(C=C3)OC

DOS

IR

Vibrations