Geometry & MOs

Info

ID:	314211
PubChem CID:	126620930
Reduced:	NSC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	527.173959
ΔH_f, kcal/mol:	-18.14
Dipole, Da:	3.35
IP(EA), eV:	-8.13(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-morpholin-4-yl-12-[(1-oxo-1,4-thiazinan-4-yl)methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-1H-indole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1N)C(C)C)C)S)C

DOS

IR

Vibrations