Geometry & MOs

Info

ID:	141250
PubChem CID:	52846887
Reduced:	ClFO2N4H16C17 (1)
Stoich.:	ABC2D4E16F17 (1)
Weight, g/mol:	419.175753
ΔH_f, kcal/mol:	-31.43
Dipole, Da:	5.61
IP(EA), eV:	-9.2(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-acetyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1CC(=O)NCC2=CC(=C(C=C2)N3C=CN=C3C)F)Cl

DOS

IR

Vibrations