Geometry & MOs

Info

ID:

104909

PubChem CID:

50105918

Reduced:

N5O5C31H43 (1)

Stoich.:

A5B5C31D43 (1)

Weight, g/mol:

591.34207

ΔHf, kcal/mol:

-199.5

Dipole, Da:

6.49

IP(EA), eV:

 -8.31(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C)OC

DOS

IR

Vibrations