Geometry & MOs

Info

ID:	135420
PubChem CID:	51869699
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	455.177982
ΔH_f, kcal/mol:	-165.41
Dipole, Da:	6.83
IP(EA), eV:	-9.79(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-(dimethylamino)phenyl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCCC(=O)NCC2CCCCC2

DOS

IR

Vibrations