Geometry & MOs

Info

ID:	190564
PubChem CID:	78021159
Reduced:	N3O5C27H29 (1)
Stoich.:	A3B5C27D29 (1)
Weight, g/mol:	462.19032
ΔH_f, kcal/mol:	-112.67
Dipole, Da:	6.56
IP(EA), eV:	-8.19(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[3,4-dioxo-2-(1-phenylpropylamino)cyclobuten-1-yl]amino]benzoyl]piperazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N4CCCC(C4)C(=O)C

DOS

IR

Vibrations