Geometry & MOs

Info

ID:

117849

PubChem CID:

50618055

Reduced:

ClFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

744.340211

ΔHf, kcal/mol:

-227.88

Dipole, Da:

2.95

IP(EA), eV:

 -8.69(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methoxy-5-[(2-methylphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC)C)F

DOS

IR

Vibrations