Geometry & MOs

Info

ID:	138455
PubChem CID:	52369180
Reduced:	SO3N5C17H19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	327.104148
ΔH_f, kcal/mol:	-74.1
Dipole, Da:	4.91
IP(EA), eV:	-9.21(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C(=CC(=N2)C(C)C)C(=O)NC3=NC=CS3)C(=O)NC1=O

DOS

IR

Vibrations