Geometry & MOs

Info

ID:	230927
PubChem CID:	87572262
Reduced:	Cl3N4C15H19 (1)
Stoich.:	A3B4C15D19 (1)
Weight, g/mol:	445.12269
ΔH_f, kcal/mol:	2.96
Dipole, Da:	7.81
IP(EA), eV:	-9.11(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[[1-[[6-chloro-5-(4-isothiocyanatophenyl)pyridin-3-yl]oxymethyl]cyclopropyl]methyl]carbamic acid

Drug info:

PubChemData

Smile

CNC1(CC1)CNC2=CC(=C(N=C2)Cl)C3=CC=NC=C3.Cl.Cl

DOS

IR

Vibrations