Geometry & MOs

Info

ID:	140721
PubChem CID:	52746653
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	468.128983
ΔH_f, kcal/mol:	-90.95
Dipole, Da:	4.45
IP(EA), eV:	-8.59(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxybenzoyl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COCCCCN(CC1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)OC

DOS

IR

Vibrations