Geometry & MOs

Info

ID:

334007

PubChem CID:

127252559

Reduced:

S2N5O7C38H41 (1)

Stoich.:

A2B5C7D38E41 (1)

Weight, g/mol:

405.143704

ΔHf, kcal/mol:

-107.27

Dipole, Da:

6.3

IP(EA), eV:

 -7.88(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N[C@@H](CCSC)C(=O)NC4=NC(=CS4)C5=CNC6=C5C=CC(=C6)OC)OC)OC)OC

DOS

IR

Vibrations