Geometry & MOs

Info

ID:	307307
PubChem CID:	125299536
Reduced:	ClO2N4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	338.032975
ΔH_f, kcal/mol:	14.2
Dipole, Da:	6.67
IP(EA), eV:	-8.56(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-14,14-dimethyl-7-methylsulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,8,11(16)-tetraene-5-thione

Drug info:

PubChemData

Smile

CCOC(=O)CN[C@H]1[C@@H](N=C2N1C=C(C=C2)Cl)C3=C4C=CC=CC4=NC3

DOS

IR

Vibrations