Geometry & MOs

Info

ID:

187961

PubChem CID:

77648310

Reduced:

ClSN5O7C29H40 (1)

Stoich.:

ABC5D7E29F40 (1)

Weight, g/mol:

478.258006

ΔHf, kcal/mol:

-282.09

Dipole, Da:

7.24

IP(EA), eV:

 -9.3(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-hydroxy-2-N,2-N-dimethyl-1-N-[1-(2-methylphenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CCN(CCN1CCCCC1)C(=O)C(C)N2CCC(C2=O)N(CC(=O)N)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl.C(=O)O

DOS

IR

Vibrations