Geometry & MOs

Info

ID:	429273
PubChem CID:	135169177
Reduced:	ClO3N6C26H33 (1)
Stoich.:	AB3C6D26E33 (1)
Weight, g/mol:	224.13472
ΔH_f, kcal/mol:	-94.84
Dipole, Da:	5.44
IP(EA), eV:	-8.99(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-tert-butylsulfanyl-1-pyridin-3-ylpropan-1-amine

Drug info:

PubChemData

Smile

CC[C@H](C1CCCCC1Cl)NC(=O)N2[C@@H]([C@@H](C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=NC=C4

DOS

IR

Vibrations