Geometry & MOs

Info

ID:	427814
PubChem CID:	135163506
Reduced:	FO2N3C27H28 (1)
Stoich.:	AB2C3D27E28 (1)
Weight, g/mol:	455.257277
ΔH_f, kcal/mol:	-40.12
Dipole, Da:	4.3
IP(EA), eV:	-9.04(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S,3R)-3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-(3-ethyl-4-methylphenyl)-2-methylpropanoate

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)[C@H](CC(=O)OCC2=CC=CC=C2)C3=C(C4=C(C=C3)N(N=N4)CC)F)C

DOS

IR

Vibrations