Geometry & MOs

Info

ID:	70749
PubChem CID:	48413813
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	390.097346
ΔH_f, kcal/mol:	-100.02
Dipole, Da:	4.02
IP(EA), eV:	-9.35(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CC23CC4CC(C2)CC(C4)(C3)O

DOS

IR

Vibrations