Geometry & MOs

Info

ID:	149926
PubChem CID:	53789608
Reduced:	N3O4H25C26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	255.922782
ΔH_f, kcal/mol:	-66.89
Dipole, Da:	9.03
IP(EA), eV:	-9.08(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dichloro-3-(1,3-dichloropropan-2-ylsulfanyl)propane

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)N(CC4)CC(=O)O

DOS

IR

Vibrations