Geometry & MOs

Info

ID:	323187
PubChem CID:	126673320
Reduced:	ClNO3C18H18 (2)
Stoich.:	ABC3D18E18 (2)
Weight, g/mol:	543.207761
ΔH_f, kcal/mol:	-156.69
Dipole, Da:	2.87
IP(EA), eV:	-8.44(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-amino-2-[2-(benzotriazol-1-yloxycarbonyloxy)ethoxy]propoxy]-3-methylbutyl] benzotriazol-1-yl carbonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC(=O)CC2=CC=CC=C2NC3=C(C=CC=C3Cl)Cl)C(=O)OCC(CC#C)CC#C

DOS

IR

Vibrations