Geometry & MOs

Info

ID:	382919
PubChem CID:	134974358
Reduced:	N2O3H12C15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	341.087435
ΔH_f, kcal/mol:	-49.66
Dipole, Da:	8.91
IP(EA), eV:	-8.15(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-methyl-12-thia-14-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1O)C2=C3C=C(C(=O)C=C3C=CN2)O)N

DOS

IR

Vibrations