Geometry & MOs

Info

ID:	39550
PubChem CID:	8141301
Reduced:	ClON2S2H15C18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	399.107519
ΔH_f, kcal/mol:	21.5
Dipole, Da:	5.53
IP(EA), eV:	-8.69(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)NC(=O)C2=CC=CC=C2SC)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations