Geometry & MOs

Info

ID:	194434
PubChem CID:	78535249
Reduced:	NSO4H21C22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	411.143035
ΔH_f, kcal/mol:	-92.31
Dipole, Da:	5.55
IP(EA), eV:	-8.84(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-amino-1-methyl-2,4-dioxo-1,3-diazinan-5-yl)-2-oxoethyl] 3-(6-methoxynaphthalen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C=CC(=O)OCC(=O)NCCC3=CC=CS3

DOS

IR

Vibrations