Geometry & MOs

Info

ID:	55279
PubChem CID:	17389995
Reduced:	NSO2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	289.11365
ΔH_f, kcal/mol:	-48.18
Dipole, Da:	5.53
IP(EA), eV:	-8.88(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1CCCC2=C1C(=C(S2)N3C=CC=C3)C(=O)O

DOS

IR

Vibrations