Geometry & MOs

Info

ID:	152675
PubChem CID:	56311704
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	444.183127
ΔH_f, kcal/mol:	-16.95
Dipole, Da:	3.35
IP(EA), eV:	-8.51(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NC(=NO2)C3=CC=CC=C3C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations