Geometry & MOs

Info

ID:

185072

PubChem CID:

77251063

Reduced:

N4O4C29H44 (1)

Stoich.:

A4B4C29D44 (1)

Weight, g/mol:

603.178155

ΔHf, kcal/mol:

-173.63

Dipole, Da:

2.97

IP(EA), eV:

 -8.31(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[cyclohexanecarbonyl-[[4-(trifluoromethyl)phenyl]sulfonylamino]amino]-2-phenylethyl]pyrrolidine-2-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC(CC(C)C)C(=O)N3CC(C4C3C(=O)CO4)C(C)C

DOS

IR

Vibrations