Geometry & MOs

Info

ID:	230752
PubChem CID:	87571882
Reduced:	P2S5O6C19H34 (1)
Stoich.:	A2B5C6D19E34 (1)
Weight, g/mol:	402.182254
ΔH_f, kcal/mol:	-418.48
Dipole, Da:	5.0
IP(EA), eV:	-8.6(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[1-[[[5-(4-aminophenyl)-6-chloropyridin-3-yl]amino]methyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC=C1)SP(=S)(OC)OC.CCOP(=S)(OCC)SCSCC

DOS

IR

Vibrations