Geometry & MOs

Info

ID:	33354
PubChem CID:	7886051
Reduced:	SN2O3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	321.078327
ΔH_f, kcal/mol:	-50.02
Dipole, Da:	3.62
IP(EA), eV:	-8.67(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4

DOS

IR

Vibrations