Geometry & MOs

Info

ID:

105051

PubChem CID:

50106242

Reduced:

O4N5C28H37 (1)

Stoich.:

A4B5C28D37 (1)

Weight, g/mol:

720.34469

ΔHf, kcal/mol:

-154.24

Dipole, Da:

6.29

IP(EA), eV:

 -8.7(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=CC=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C

DOS

IR

Vibrations