Geometry & MOs

Info

ID:	123026
PubChem CID:	50830872
Reduced:	OSN2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	441.127776
ΔH_f, kcal/mol:	-14.13
Dipole, Da:	2.13
IP(EA), eV:	-8.23(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-prop-2-enylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C2=C(SC3=C2NC(=C3C)C)C

DOS

IR

Vibrations