Geometry & MOs

Info

ID:

109939

PubChem CID:

50302483

Reduced:

O5N6C33H42 (1)

Stoich.:

A5B6C33D42 (1)

Weight, g/mol:

578.285283

ΔHf, kcal/mol:

-190.98

Dipole, Da:

11.4

IP(EA), eV:

 -8.81(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(=O)N5CCCCC5)C(=O)N

DOS

IR

Vibrations