Geometry & MOs

Info

ID:	133920
PubChem CID:	51613946
Reduced:	NO2C13H18 (2)
Stoich.:	AB2C13D18 (2)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-174.88
Dipole, Da:	3.74
IP(EA), eV:	-9.6(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(benzotriazol-1-yl)acetate

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)OC(=O)NCCCCNC(=O)O[C@@H](CCC)C2=CC=CC=C2

DOS

IR

Vibrations