Geometry & MOs

Info

ID:

164428

PubChem CID:

74398847

Reduced:

O9N13C46H71 (1)

Stoich.:

A9B13C46D71 (1)

Weight, g/mol:

750.165983

ΔHf, kcal/mol:

-442.06

Dipole, Da:

6.02

IP(EA), eV:

 -8.58(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[amino-[3-[3-[3-chloro-N-(2-ethoxy-2-oxoethyl)sulfonyl-4-(1-methylpiperidin-4-yl)oxyanilino]prop-1-enyl]phenyl]methylidene]carbamoyloxymethyl propanoate;dihydrochloride

Drug info:

PubChemData

Smile

CCC(C)C(CCC(=O)NC(CC(C)C)C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)N

DOS

IR

Vibrations