Geometry & MOs

Info

ID:	152764
PubChem CID:	56311830
Reduced:	N5O5C21H29 (1)
Stoich.:	A5B5C21D29 (1)
Weight, g/mol:	493.232519
ΔH_f, kcal/mol:	-175.51
Dipole, Da:	5.09
IP(EA), eV:	-8.59(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)NC(=O)CN2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC)C

DOS

IR

Vibrations