Geometry & MOs

Info

ID:

214967

PubChem CID:

85083932

Reduced:

N5O10H29C33 (1)

Stoich.:

A5B10C29D33 (1)

Weight, g/mol:

655.420989

ΔHf, kcal/mol:

-272.61

Dipole, Da:

5.41

IP(EA), eV:

 -8.65(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)O)NC3=C4C(=C5C(=C23)C(=O)N(C5=O)NCC6=CN=C(C=C6)CO)C7=C(N4C8C(C(C(C(O8)CO)O)O)O)C(=CC=C7)O

DOS

IR

Vibrations