Geometry & MOs

Info

ID:

104579

PubChem CID:

50104651

Reduced:

N5O5C29H39 (1)

Stoich.:

A5B5C29D39 (1)

Weight, g/mol:

605.35772

ΔHf, kcal/mol:

-205.65

Dipole, Da:

8.08

IP(EA), eV:

 -8.65(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C

DOS

IR

Vibrations