Geometry & MOs

Info

ID:

116128

PubChem CID:

50548968

Reduced:

ClO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-166.67

Dipole, Da:

2.5

IP(EA), eV:

 -9.01(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-[(4-fluoro-2-methylphenyl)carbamoyl]-6-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)N)C)Cl

DOS

IR

Vibrations