Geometry & MOs

Info

ID:

95125

PubChem CID:

50006494

Reduced:

N3O3C19H26 (2)

Stoich.:

A3B3C19D26 (2)

Weight, g/mol:

728.369761

ΔHf, kcal/mol:

-256.63

Dipole, Da:

2.89

IP(EA), eV:

 -8.89(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[5-[(2-fluorophenyl)carbamoyl]-2-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations