Geometry & MOs

Info

ID:

104989

PubChem CID:

50106102

Reduced:

ClF2N6O6C39H45 (1)

Stoich.:

AB2C6D6E39F45 (1)

Weight, g/mol:

778.342103

ΔHf, kcal/mol:

-317.66

Dipole, Da:

5.68

IP(EA), eV:

 -9.19(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(cyclohexylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations