Geometry & MOs

Info

ID:	184544
PubChem CID:	77174804
Reduced:	SN2O3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	243.077454
ΔH_f, kcal/mol:	-34.91
Dipole, Da:	5.43
IP(EA), eV:	-8.46(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(3-amino-6-chloropyridin-2-yl)carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC2=CC(=NC3=C2SC=C3)NCCC=O

DOS

IR

Vibrations