Geometry & MOs

Info

ID:

104869

PubChem CID:

50105811

Reduced:

N5O5C29H39 (1)

Stoich.:

A5B5C29D39 (1)

Weight, g/mol:

543.262774

ΔHf, kcal/mol:

-182.52

Dipole, Da:

13.44

IP(EA), eV:

 -8.78(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C

DOS

IR

Vibrations