Geometry & MOs

Info

ID:	123197
PubChem CID:	50837052
Reduced:	ClFOSN3H15C21 (1)
Stoich.:	ABCDE3F15G21 (1)
Weight, g/mol:	423.080826
ΔH_f, kcal/mol:	12.42
Dipole, Da:	4.52
IP(EA), eV:	-8.97(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=N2)C3=CC=CN3CC(=O)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations