Geometry & MOs

Info

ID:

105975

PubChem CID:

50144957

Reduced:

N5O5C31H41 (1)

Stoich.:

A5B5C31D41 (1)

Weight, g/mol:

684.363533

ΔHf, kcal/mol:

-168.83

Dipole, Da:

8.74

IP(EA), eV:

 -9.03(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-methoxy-5-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-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)N2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations