Geometry & MOs

Info

ID:

215348

PubChem CID:

85084578

Reduced:

O7C22H36 (2)

Stoich.:

A7B22C36 (2)

Weight, g/mol:

825.16719

ΔHf, kcal/mol:

-702.53

Dipole, Da:

12.31

IP(EA), eV:

 -9.37(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[4-[3-(4-amino-3,5-dibromophenyl)-2-[[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]amino]propanoyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4C(=CCC5C4(C(=O)CC6(C5(CCC6C(C)CCC(C(C)(C)O)O)C)C)C)C3(C)C)CO)O)O)O)O)OC(=O)C

DOS

IR

Vibrations