Geometry & MOs

Info

ID:	152763
PubChem CID:	56311828
Reduced:	N4O6C25H30 (1)
Stoich.:	A4B6C25D30 (1)
Weight, g/mol:	431.216869
ΔH_f, kcal/mol:	-204.92
Dipole, Da:	2.59
IP(EA), eV:	-8.47(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations