Geometry & MOs

Info

ID:	55550
PubChem CID:	17395530
Reduced:	S2N3O3C16H19 (1)
Stoich.:	A2B3C3D16E19 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-52.24
Dipole, Da:	8.72
IP(EA), eV:	-8.94(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2,4-dimethyl-5-(pyridin-2-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=NC=CS1)NS(=O)(=O)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations