Geometry & MOs

Info

ID:

96243

PubChem CID:

50019481

Reduced:

ClO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-225.67

Dipole, Da:

2.98

IP(EA), eV:

 -9.2(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC(C4)C)Cl

DOS

IR

Vibrations