Geometry & MOs

Info

ID:

91265

PubChem CID:

49974697

Reduced:

N5O5C29H37 (1)

Stoich.:

A5B5C29D37 (1)

Weight, g/mol:

633.352634

ΔHf, kcal/mol:

-176.47

Dipole, Da:

7.77

IP(EA), eV:

 -9.12(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methoxy-5-[(2-methylcyclohexyl)carbamoyl]phenyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)N(C)C

DOS

IR

Vibrations