Geometry & MOs

Info

ID:

92740

PubChem CID:

49989363

Reduced:

SO4N7C30H43 (1)

Stoich.:

AB4C7D30E43 (1)

Weight, g/mol:

674.379183

ΔHf, kcal/mol:

-156.09

Dipole, Da:

10.92

IP(EA), eV:

 -8.73(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations