Geometry & MOs

Info

ID:	157510
PubChem CID:	56435336
Reduced:	ClN2O4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	413.123169
ΔH_f, kcal/mol:	-147.16
Dipole, Da:	3.15
IP(EA), eV:	-9.09(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(C1=CC=CC=C1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

DOS

IR

Vibrations