Geometry & MOs

Info

ID:	393812
PubChem CID:	135021727
Reduced:	NSO5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-186.63
Dipole, Da:	1.3
IP(EA), eV:	-9.48(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[4-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-2-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C(C=CC=N1)C=C(C)C)OS(=O)(=O)C

DOS

IR

Vibrations