Geometry & MOs

Info

ID:	227484
PubChem CID:	87561834
Reduced:	O2N7C28H35 (1)
Stoich.:	A2B7C28D35 (1)
Weight, g/mol:	477.068068
ΔH_f, kcal/mol:	33.64
Dipole, Da:	10.02
IP(EA), eV:	-8.07(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-prop-2-ynylpiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1(CC1N2CCC(=CC2)C3=CC(=C(C=C3)NC4=NC5=C(C(=N4)NC6CCCCC6)NC=N5)OC)C=O

DOS

IR

Vibrations