Geometry & MOs

Info

ID:

115102

PubChem CID:

50509429

Reduced:

BrClO5N6C27H32 (1)

Stoich.:

ABC5D6E27F32 (1)

Weight, g/mol:

748.338461

ΔHf, kcal/mol:

-201.7

Dipole, Da:

4.14

IP(EA), eV:

 -9.04(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methoxy-5-[(2-methylphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Br)C(=O)N)Cl

DOS

IR

Vibrations