Geometry & MOs

Info

ID:

99965

PubChem CID:

50056613

Reduced:

FN3O3C18H21 (2)

Stoich.:

AB3C3D18E21 (2)

Weight, g/mol:

706.329039

ΔHf, kcal/mol:

-312.31

Dipole, Da:

14.52

IP(EA), eV:

 -8.48(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[3-methoxy-4-(2-methylbutanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C(C)C)OC

DOS

IR

Vibrations