Geometry & MOs

Info

ID:	151739
PubChem CID:	56310368
Reduced:	ClO2N7C21H24 (1)
Stoich.:	AB2C7D21E24 (1)
Weight, g/mol:	492.123419
ΔH_f, kcal/mol:	0.09
Dipole, Da:	8.44
IP(EA), eV:	-8.33(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)CC(=O)NCC(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations