Geometry & MOs

Info

ID:

186810

PubChem CID:

77488482

Reduced:

FSN6O7C47H59 (1)

Stoich.:

ABC6D7E47F59 (1)

Weight, g/mol:

502.229927

ΔHf, kcal/mol:

-265.95

Dipole, Da:

6.95

IP(EA), eV:

 -8.75(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-carbamoyl-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)C(=O)N2CCOC3(C2)CCN(CC3)CC4=CC=CC(=C4F)CCOCCC(=O)N(CCNCCC5=C6C(=C(C=C5)O)NC(=O)CO6)C(C)C7=CC=CC=C7

DOS

IR

Vibrations