Geometry & MOs

Info

ID:	193932
PubChem CID:	78457859
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	370.164105
ΔH_f, kcal/mol:	-47.54
Dipole, Da:	5.34
IP(EA), eV:	-8.58(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-ylmethylamino)-6-[(4-methoxyphenyl)methyl]-1,2,4-triazinan-5-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=O)N=C3C2CCCC3)C

DOS

IR

Vibrations