Geometry & MOs

Info

ID:	440956
PubChem CID:	135232444
Reduced:	NPSO8H16C20 (1)
Stoich.:	ABCD8E16F20 (1)
Weight, g/mol:	375.147058
ΔH_f, kcal/mol:	-321.65
Dipole, Da:	13.08
IP(EA), eV:	-8.7(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,6-trimethyl-17-oxo-14-oxa-10-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4(9),5,7,15,18,20-heptaene-18-carboxylic acid

Drug info:

PubChemData

Smile

C1CN2C3=C(C=C(C=C3)OP(=O)(O)O)SC2=C4C1OC5=CC(=O)C(=CC5=C4)CC(=O)O

DOS

IR

Vibrations