Geometry & MOs

Info

ID:	178071
PubChem CID:	76272495
Reduced:	SN3O3C26H27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	432.219512
ΔH_f, kcal/mol:	-33.97
Dipole, Da:	5.88
IP(EA), eV:	-9.22(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[4-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC(C1=CC=CC=C1)C2=CC=CC=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations