Geometry & MOs

Info

ID:	155402
PubChem CID:	56354979
Reduced:	SO2N4C24H26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	415.145344
ΔH_f, kcal/mol:	-9.33
Dipole, Da:	4.35
IP(EA), eV:	-8.59(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)CCC2=CC=C(C=C2)NC(=O)/C=C/C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations