Geometry & MOs

Info

ID:	31539
PubChem CID:	855845
Reduced:	SO2N4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	330.115047
ΔH_f, kcal/mol:	8.75
Dipole, Da:	8.86
IP(EA), eV:	-8.87(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(6,8-dimethyl-1H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=CC2=C3C(=NC(=NN3)S[C@H](C)C(=O)O)N=C2C(=C1)C

DOS

IR

Vibrations