Geometry & MOs

Info

ID:	148673
PubChem CID:	53788341
Reduced:	SN3O5C7H9 (1)
Stoich.:	AB3C5D7E9 (1)
Weight, g/mol:	380.155849
ΔH_f, kcal/mol:	-154.33
Dipole, Da:	7.96
IP(EA), eV:	-10.3(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxy-4-methyl-3-phenylpyrrol-1-yl)-2-methyl-N-(3-methylsulfanylphenyl)propanamide

Drug info:

PubChemData

Smile

COC1=NC=CN=C1S(=O)(=O)CNC(=O)O

DOS

IR

Vibrations