Geometry & MOs

Info

ID:	309806
PubChem CID:	126560070
Reduced:	N2O4C31H36 (1)
Stoich.:	A2B4C31D36 (1)
Weight, g/mol:	440.97517
ΔH_f, kcal/mol:	-127.73
Dipole, Da:	5.02
IP(EA), eV:	-8.79(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-morpholin-4-ylethyldisulfanyl)methyl]phenyl]methyl thiohypoiodite

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=C3CC[C@H](C3=CC=C2)NC4=NC=C(C=C4)C5C[C@H]5C(=O)O)C)OCCC(C)(C)O

DOS

IR

Vibrations