Geometry & MOs

Info

ID:

418694

PubChem CID:

135106575

Reduced:

SO6N7C35H45 (1)

Stoich.:

AB6C7D35E45 (1)

Weight, g/mol:

354.169191

ΔHf, kcal/mol:

-193.18

Dipole, Da:

8.29

IP(EA), eV:

 -8.96(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-hydroxy-2-(4-phenylpiperidine-1-carbonyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)CC4=CC(=CC=C4)O)C)C)C(C)C

DOS

IR

Vibrations