Geometry & MOs

Info

ID:	230989
PubChem CID:	87572403
Reduced:	Cl2N3O3C16H17 (1)
Stoich.:	A2B3C3D16E17 (1)
Weight, g/mol:	479.137862
ΔH_f, kcal/mol:	-11.71
Dipole, Da:	4.05
IP(EA), eV:	-9.7(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[[1-[[6-chloro-5-[4-[(2-chloroacetyl)amino]phenyl]pyridin-3-yl]oxymethyl]cyclopropyl]methyl]carbamic acid

Drug info:

PubChemData

Smile

C1CC1(CN)COC2=CC(=C(N=C2)Cl)C3=CC(=CC=C3)[N+](=O)[O-].Cl

DOS

IR

Vibrations