Geometry & MOs

Info

ID:	123198
PubChem CID:	50837053
Reduced:	ClSO2N3H18C22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	401.156184
ΔH_f, kcal/mol:	21.84
Dipole, Da:	6.29
IP(EA), eV:	-8.43(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)methyl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CN2C=CC=C2C3=NC(=CS3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations