Geometry & MOs

Info

ID:	44585
PubChem CID:	10504212
Reduced:	O4N9C20H31 (1)
Stoich.:	A4B9C20D31 (1)
Weight, g/mol:	461.162057
ΔH_f, kcal/mol:	-84.76
Dipole, Da:	1.96
IP(EA), eV:	-9.18(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[benzyl(methyl)carbamoyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylate

Drug info:

PubChemData

Smile

CC1CN1C2=NC=NC3=C2N=CN3CCCCCOC(=O)N[C@@H](CCCN=C(N)N)C(=O)O

DOS

IR

Vibrations