Geometry & MOs

Info

ID:	68270
PubChem CID:	46508089
Reduced:	O2S3N4C14H14 (1)
Stoich.:	A2B3C4D14E14 (1)
Weight, g/mol:	453.217618
ΔH_f, kcal/mol:	-19.33
Dipole, Da:	5.75
IP(EA), eV:	-8.86(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)CSC2=NC3=C(C=CS3)C(=O)N2C)C

DOS

IR

Vibrations