Geometry & MOs

Info

ID:	192173
PubChem CID:	78236283
Reduced:	O4N5C21H25 (1)
Stoich.:	A4B5C21D25 (1)
Weight, g/mol:	366.136176
ΔH_f, kcal/mol:	-84.05
Dipole, Da:	5.24
IP(EA), eV:	-8.73(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)CCCN1C(=CN2C1=NC3C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4

DOS

IR

Vibrations