Geometry & MOs

Info

ID:	245250
PubChem CID:	99438043
Reduced:	SN4O5C22H30 (1)
Stoich.:	AB4C5D22E30 (1)
Weight, g/mol:	397.200156
ΔH_f, kcal/mol:	-176.95
Dipole, Da:	4.02
IP(EA), eV:	-9.05(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-methoxyethoxy)benzoyl]-N-(3-methylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=NN1[C@H]2CCS(=O)(=O)C2)C(C)(C)C)NC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations