Geometry & MOs

Info

ID:

118557

PubChem CID:

50646986

Reduced:

ClO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-214.93

Dipole, Da:

10.99

IP(EA), eV:

 -8.51(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-methyl-4-(2-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC(C)C)Cl)NC(=O)C

DOS

IR

Vibrations