Geometry & MOs

Info

ID:	46727
PubChem CID:	10526704
Reduced:	OCl2N3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	432.279553
ΔH_f, kcal/mol:	-43.57
Dipole, Da:	2.6
IP(EA), eV:	-8.37(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(2R)-2-[(1R,2R,6S,8R)-6,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidine-1-carbonyl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCCC(=O)NN)N(CCCl)CCCl

DOS

IR

Vibrations