Geometry & MOs

Info

ID:	170119
PubChem CID:	75198864
Reduced:	SO2N3C25H29 (1)
Stoich.:	AB2C3D25E29 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-16.59
Dipole, Da:	2.79
IP(EA), eV:	-8.96(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropyl(phenyl)methyl]-6-oxodiazinane-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=CC=C2)C(=O)CCCCCN3C(=O)C4C=CC=CC4=NC3=S

DOS

IR

Vibrations