Geometry & MOs

Info

ID:

215108

PubChem CID:

85084164

Reduced:

NO15C34H41 (1)

Stoich.:

AB15C34D41 (1)

Weight, g/mol:

703.357486

ΔHf, kcal/mol:

-579.68

Dipole, Da:

3.82

IP(EA), eV:

 -9.04(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[2-[[4-carbamimidoylsulfanyl-1-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)butyl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C1=CC(C(O1)OC2=C(C=C(C=C2)C=C(C)C(=O)NC3C(C4C(C(C3OC(=O)C)OC(=O)C)OCO4)OC(=O)C)OCC=C)OC(=O)C)O

DOS

IR

Vibrations