Geometry & MOs

Info

ID:

107653

PubChem CID:

50212819

Reduced:

ClFO5N6C41H44 (1)

Stoich.:

ABC5D6E41F44 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-202.53

Dipole, Da:

12.13

IP(EA), eV:

 -8.8(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[4-[(2-fluorobenzoyl)amino]-3-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)C)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations