Geometry & MOs

Info

ID:

187038

PubChem CID:

77523245

Reduced:

N3O7C35H57 (1)

Stoich.:

A3B7C35D57 (1)

Weight, g/mol:

563.155404

ΔHf, kcal/mol:

-344.24

Dipole, Da:

3.85

IP(EA), eV:

 -9.12(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 1-[[3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C(=O)N(CC2CN(CC2CN(C3CC3)C(=O)OCC(C)C)C(=O)OC(C)(C)C)C(C)C)OCCCOC

DOS

IR

Vibrations