Geometry & MOs

Info

ID:	348825
PubChem CID:	127274473
Reduced:	SO2N6C15H18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	14.18
Dipole, Da:	2.07
IP(EA), eV:	-8.66(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methyl-1,4-oxazepane-4-carbonyl)phenyl]diazinane-3,6-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)CN3C=NN=N3

DOS

IR

Vibrations