Geometry & MOs

Info

ID:	39836
PubChem CID:	8142543
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-141.11
Dipole, Da:	3.32
IP(EA), eV:	-8.44(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[(3,4-dimethoxyphenyl)methyl]-1-prop-2-enyl-5-(2-pyridin-2-ylethyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C[C@@]2(C(=O)NC(=O)N(C2=O)CC=C)CCC3=CC=CC=N3)OC

DOS

IR

Vibrations