Geometry & MOs

Info

ID:	58008
PubChem CID:	24398217
Reduced:	ClO2S2N4H13C22 (1)
Stoich.:	AB2C2D4E13F22 (1)
Weight, g/mol:	405.037247
ΔH_f, kcal/mol:	78.57
Dipole, Da:	2.69
IP(EA), eV:	-8.89(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC(=CS4)C5=CC=C(S5)Cl

DOS

IR

Vibrations