Geometry & MOs

Info

ID:	170738
PubChem CID:	75272721
Reduced:	SN3O5C25H31 (1)
Stoich.:	AB3C5D25E31 (1)
Weight, g/mol:	342.086056
ΔH_f, kcal/mol:	-151.5
Dipole, Da:	6.15
IP(EA), eV:	-9.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrrol-2-yl)methyl]-3-thiophen-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3CCN(CC3)C(=O)C=CC4=CC=CO4

DOS

IR

Vibrations