Geometry & MOs

Info

ID:	2033
PubChem CID:	5629
Reduced:	N2O6C25H28 (1)
Stoich.:	A2B6C25D28 (1)
Weight, g/mol:	452.194737
ΔH_f, kcal/mol:	-223.65
Dipole, Da:	4.54
IP(EA), eV:	-8.94(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[3-[1-(2-hydroxy-4-oxochromen-3-yl)propyl]anilino]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC=C1)NC(=O)CNC(=O)OC(C)(C)C)C2=C(OC3=CC=CC=C3C2=O)O

DOS

IR

Vibrations