Geometry & MOs

Info

ID:	41661
PubChem CID:	8146715
Reduced:	NSO4H20C23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	388.202502
ΔH_f, kcal/mol:	22.21
Dipole, Da:	3.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.835956
Charge, e:	1

Chem-info

IUPAC name:

benzyl-ethyl-[[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]azanium

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C(\CCC(=O)[O-])/C2=NC3=CC=CC=C3S2)OCC#C

DOS

IR

Vibrations