Geometry & MOs

Info

ID:

104469

PubChem CID:

50104348

Reduced:

Cl2O4N5C28H35 (1)

Stoich.:

A2B4C5D28E35 (1)

Weight, g/mol:

543.265711

ΔHf, kcal/mol:

-178.82

Dipole, Da:

4.62

IP(EA), eV:

 -8.9(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,4-difluoroanilino)-2-oxoethyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations