Geometry & MOs

Info

ID:	139403
PubChem CID:	52522878
Reduced:	N3O5C24H30 (1)
Stoich.:	A3B5C24D30 (1)
Weight, g/mol:	363.121906
ΔH_f, kcal/mol:	-153.76
Dipole, Da:	3.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.996700
Charge, e:	0

Chem-info

IUPAC name:

4-[(4S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(O1)[C@H](CNC(=O)[C@H]2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)[NH+]5CCCC5

DOS

IR

Vibrations