Geometry & MOs

Info

ID:	62060
PubChem CID:	26717317
Reduced:	Cl2N2O3H18C21 (1)
Stoich.:	A2B2C3D18E21 (1)
Weight, g/mol:	483.078633
ΔH_f, kcal/mol:	-70.64
Dipole, Da:	7.44
IP(EA), eV:	-9.13(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N[C@@H](C)C2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC=CO3

DOS

IR

Vibrations