Geometry & MOs

Info

ID:	141183
PubChem CID:	52833768
Reduced:	S2N3O4C22H23 (1)
Stoich.:	A2B3C4D22E23 (1)
Weight, g/mol:	382.16166
ΔH_f, kcal/mol:	-96.84
Dipole, Da:	5.06
IP(EA), eV:	-8.59(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N[C@H](C)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations