Geometry & MOs

Info

ID:	30678
PubChem CID:	841702
Reduced:	NSO3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	336.09662
ΔH_f, kcal/mol:	-111.55
Dipole, Da:	5.26
IP(EA), eV:	-8.9(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12,12-dimethyl-4-(2-methylprop-2-enyl)-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)O

DOS

IR

Vibrations