Geometry & MOs

Info

ID:	67604
PubChem CID:	46506801
Reduced:	N2O4H8C11 (1)
Stoich.:	A2B4C8D11 (1)
Weight, g/mol:	629.267191
ΔH_f, kcal/mol:	-89.96
Dipole, Da:	6.04
IP(EA), eV:	-8.79(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-[[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)N3C=CNC(=O)C3=O

DOS

IR

Vibrations