Geometry & MOs

Info

ID:	352742
PubChem CID:	127283831
Reduced:	O2S2N3C19H21 (1)
Stoich.:	A2B2C3D19E21 (1)
Weight, g/mol:	310.055818
ΔH_f, kcal/mol:	-22.72
Dipole, Da:	4.39
IP(EA), eV:	-8.66(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-(1-oxo-1,4-thiazinan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CN4CCS(=O)CC4)C

DOS

IR

Vibrations