Geometry & MOs

Info

ID:

188661

PubChem CID:

77751057

Reduced:

ClNO2H11C12 (2)

Stoich.:

ABC2D11E12 (2)

Weight, g/mol:

681.377786

ΔHf, kcal/mol:

-94.97

Dipole, Da:

1.63

IP(EA), eV:

 -9.18(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[4-[4-[(2-hydroxy-3-phenoxypropyl)amino]-2-[4-[methoxycarbonyl(propyl)amino]phenyl]-1-phenylbutan-2-yl]phenyl]-N-propylcarbamate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C=CC(=O)C(C2=CC=CN2C3=C(C(=C(C=C3)Cl)CO)Cl)N

DOS

IR

Vibrations