Geometry & MOs

Info

ID:	157361
PubChem CID:	56423121
Reduced:	SO2N4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	411.026682
ΔH_f, kcal/mol:	-17.41
Dipole, Da:	6.19
IP(EA), eV:	-9.43(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC(C(C)C)C(=O)NCC2=NC(=CS2)C3=CC=NC=C3

DOS

IR

Vibrations