Geometry & MOs

Info

ID:	191957
PubChem CID:	78208351
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	344.130697
ΔH_f, kcal/mol:	-100.48
Dipole, Da:	5.17
IP(EA), eV:	-8.74(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-tert-butyl-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=CC(C(=O)N=C2C=C1C)CN(CC3CCCO3)C(=O)C

DOS

IR

Vibrations