Geometry & MOs

Info

ID:

214764

PubChem CID:

85083603

Reduced:

N3O6C34H57 (1)

Stoich.:

A3B6C34D57 (1)

Weight, g/mol:

604.354449

ΔHf, kcal/mol:

-329.36

Dipole, Da:

5.03

IP(EA), eV:

 -9.49(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-acetamido-3-phenylpropanoyl)-N-[4-(2-aminoimidazol-1-yl)-1-(9,9-dimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)butyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCC(C(=O)NCCCC(C(CC1)OC2C(C(C(C(O2)C)O)NC(=O)NCCC3=CC=CC=C3)O)CC)CC

DOS

IR

Vibrations