Geometry & MOs

Info

ID:	427184
PubChem CID:	135155958
Reduced:	SO4N5C19H19 (1)
Stoich.:	AB4C5D19E19 (1)
Weight, g/mol:	290.108899
ΔH_f, kcal/mol:	-112.32
Dipole, Da:	5.82
IP(EA), eV:	-9.08(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[(3S)-2-oxoazepan-3-yl]prop-1-en-2-yl]-6H-thieno[3,4-c]pyrrol-4-one

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)NC(=O)NCC2=C3CN(C(=O)C3=CS2)[C@@H]4CCC(=O)NC4=O

DOS

IR

Vibrations