Geometry & MOs

Info

ID:	245109
PubChem CID:	99437502
Reduced:	N3O4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	480.183127
ΔH_f, kcal/mol:	-114.9
Dipole, Da:	5.67
IP(EA), eV:	-8.61(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]phenyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C/C=C/C1=C(C(=CC(=C1)C(=O)NC2=CC=C(C=C2)CN3CCC[C@@H](C3)C(=O)N)OC)OC

DOS

IR

Vibrations