Geometry & MOs

Info

ID:

306601

PubChem CID:

125092134

Reduced:

ClFSN3O4C29H33 (1)

Stoich.:

ABCD3E4F29G33 (1)

Weight, g/mol:

695.178761

ΔHf, kcal/mol:

-177.72

Dipole, Da:

2.97

IP(EA), eV:

 -9.38(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-cyclopentyl-2-[[2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@H](C)N(CC1=CC=C(C=C1)F)C(=O)CN(C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations