Geometry & MOs

Info

ID:	392302
PubChem CID:	135014363
Reduced:	O2H28C41 (1)
Stoich.:	A2B28C41 (1)
Weight, g/mol:	323.111735
ΔH_f, kcal/mol:	71.6
Dipole, Da:	3.62
IP(EA), eV:	-8.28(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(7-hydroxy-6,9-dioxo-10-oxa-5,12-diazatricyclo[6.3.1.04,12]dodeca-4,7-dien-3-yl)carbamate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=CC3=CC(=C(C(=C32)O)C4=C(C=C5C=CC6=CC=CC=C6C5=C4O)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations