Geometry & MOs

Info

ID:	62335
PubChem CID:	26719315
Reduced:	SO2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-7.59
Dipole, Da:	4.36
IP(EA), eV:	-8.13(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(4-ethoxyphenyl)carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CC2=CN3C=CSC3=N2

DOS

IR

Vibrations