Geometry & MOs

Info

ID:	218366
PubChem CID:	85089235
Reduced:	N4C13H16 (2)
Stoich.:	A4B13C16 (2)
Weight, g/mol:	454.192629
ΔH_f, kcal/mol:	157.63
Dipole, Da:	4.23
IP(EA), eV:	-8.66(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4,5-bis(phenylmethoxymethyl)thiolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCC1=NC2=C(N1CC3=CC=C(C=C3)N(C)C(C4NNNN4)C5=CC=CC=C5)N=C(C=C2C)C

DOS

IR

Vibrations