Geometry & MOs

Info

ID:	391698
PubChem CID:	135008443
Reduced:	OC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	337.11365
ΔH_f, kcal/mol:	-74.75
Dipole, Da:	2.7
IP(EA), eV:	-9.76(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3,5-dimethyl-4-phenylsulfanyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC(C)(C=C)C1=CC=C(C=C1)C(=O)OC

DOS

IR

Vibrations