Geometry & MOs

Info

ID:	310231
PubChem CID:	126577064
Reduced:	S3N5O7C32H35 (1)
Stoich.:	A3B5C7D32E35 (1)
Weight, g/mol:	260.098334
ΔH_f, kcal/mol:	-143.08
Dipole, Da:	11.0
IP(EA), eV:	-8.34(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC3=C(SC4=C3CCN(C4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-])N6C=CC=C6

DOS

IR

Vibrations