Geometry & MOs

Info

ID:	403439
PubChem CID:	135060317
Reduced:	NSO2H19C21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	330.11907
ΔH_f, kcal/mol:	-17.48
Dipole, Da:	3.04
IP(EA), eV:	-8.59(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methyl-2-methylsulfanyl-10,12-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,16,18,20-nonaene

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(C1=O)/C(=C/3\C(=O)CCC4=CC=CC=C43)/SC

DOS

IR

Vibrations