Geometry & MOs

Info

ID:

107098

PubChem CID:

50189931

Reduced:

O5N6C41H58 (1)

Stoich.:

A5B6C41D58 (1)

Weight, g/mol:

611.310769

ΔHf, kcal/mol:

-246.42

Dipole, Da:

10.23

IP(EA), eV:

 -8.88(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-[(2-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=CC=C2NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCC5)C

DOS

IR

Vibrations