Geometry & MOs

Info

ID:

104078

PubChem CID:

50087197

Reduced:

ClO5N6C39H49 (1)

Stoich.:

AB5C6D39E49 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-204.63

Dipole, Da:

7.82

IP(EA), eV:

 -8.66(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(pyrrolidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations