Geometry & MOs

Info

ID:

334916

PubChem CID:

127253722

Reduced:

N2O7C30H32 (1)

Stoich.:

A2B7C30D32 (1)

Weight, g/mol:

455.099646

ΔHf, kcal/mol:

-220.56

Dipole, Da:

5.4

IP(EA), eV:

 -7.89(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)NC3=C2CCCC3NC(=O)CC(C4=CC(=C(C=C4)O)OC)C5=C(C(=O)C=C(O5)C)O

DOS

IR

Vibrations