Geometry & MOs

Info

ID:	78513
PubChem CID:	49693452
Reduced:	N2O4H16C19 (1)
Stoich.:	A2B4C16D19 (1)
Weight, g/mol:	438.157306
ΔH_f, kcal/mol:	-107.79
Dipole, Da:	4.57
IP(EA), eV:	-9.4(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(2-methyl-3-oxopiperazine-1-carbonyl)phenyl]sulfonylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O

DOS

IR

Vibrations