Geometry & MOs

Info

ID:

47435

PubChem CID:

10532657

Reduced:

N5O7C37H63 (1)

Stoich.:

A5B7C37D63 (1)

Weight, g/mol:

690.320606

ΔHf, kcal/mol:

-376.68

Dipole, Da:

6.45

IP(EA), eV:

 -9.34(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(1-benzylindol-3-yl)methyl]-3-methyl-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C)C[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N2[C@H](C=CC2=O)C

DOS

IR

Vibrations