Geometry & MOs

Info

ID:	39835
PubChem CID:	8142542
Reduced:	ClFSO2N4C15H16 (1)
Stoich.:	ABCD2E4F15G16 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-82.01
Dipole, Da:	12.84
IP(EA), eV:	-8.91(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-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

CC/C(=N/NC1=NC(=O)[C@H](S1)CC(=O)NC2=CC(=C(C=C2)F)Cl)/C

DOS

IR

Vibrations