Geometry & MOs

Info

ID:	138845
PubChem CID:	52433404
Reduced:	ClFO3N4H20C23 (1)
Stoich.:	ABC3D4E20F23 (1)
Weight, g/mol:	443.197569
ΔH_f, kcal/mol:	-47.63
Dipole, Da:	3.05
IP(EA), eV:	-8.6(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=NN(N=C2C=C1NC(=O)[C@H](C3=CC=C(C=C3)F)OC)C4=CC(=C(C=C4)OC)Cl

DOS

IR

Vibrations