Geometry & MOs

Info

ID:	244247
PubChem CID:	99319572
Reduced:	FSO2N4C21H25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	382.119654
ΔH_f, kcal/mol:	-77.36
Dipole, Da:	2.93
IP(EA), eV:	-8.78(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-N-[2-[(2-phenylacetyl)amino]ethyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NCCNC(=O)CC3=CC(=CC=C3)F)CC(C)C

DOS

IR

Vibrations