Geometry & MOs

Info

ID:	186051
PubChem CID:	77384305
Reduced:	N5O8C33H37 (1)
Stoich.:	A5B8C33D37 (1)
Weight, g/mol:	576.233247
ΔH_f, kcal/mol:	-238.19
Dipole, Da:	6.73
IP(EA), eV:	-9.56(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-anilino-2-phenylpyrimidine-4-carbonyl)amino]-5-(4-ethoxycarbonyloxypiperazin-1-yl)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)ON1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC(=NC(=N3)C4=CC=CC=C4)OC5CCCC5

DOS

IR

Vibrations