Geometry & MOs

Info

ID:	242983
PubChem CID:	99214791
Reduced:	ClSN2O2C17H21 (1)
Stoich.:	ABC2D2E17F21 (1)
Weight, g/mol:	441.226371
ΔH_f, kcal/mol:	-49.34
Dipole, Da:	2.61
IP(EA), eV:	-9.09(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dimethoxybenzoyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC[C@H](C)NC(=O)N(C)CC2=CC=C(S2)Cl

DOS

IR

Vibrations