Geometry & MOs

Info

ID:	37099
PubChem CID:	8016893
Reduced:	SN2O2C23H24 (1)
Stoich.:	AB2C2D23E24 (1)
Weight, g/mol:	416.20597
ΔH_f, kcal/mol:	-60.45
Dipole, Da:	3.01
IP(EA), eV:	-8.49(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@]23CCC(=O)N2[C@@H](CS3)C(=O)NC4=CC5=C(CCC5)C=C4

DOS

IR

Vibrations