Geometry & MOs

Info

ID:	191407
PubChem CID:	78143660
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	542.205301
ΔH_f, kcal/mol:	-65.11
Dipole, Da:	5.59
IP(EA), eV:	-8.35(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(benzylcarbamoyloxy)phenyl]-5-hydroxy-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] N-benzylcarbamate

Drug info:

PubChemData

Smile

COC1C2CC3=CC=CC=C3OC2NC(=C4C=CC=CC4=O)N1

DOS

IR

Vibrations