Geometry & MOs

Info

ID:

104575

PubChem CID:

50104639

Reduced:

O5N6C36H44 (1)

Stoich.:

A5B6C36D44 (1)

Weight, g/mol:

571.294074

ΔHf, kcal/mol:

-180.37

Dipole, Da:

8.81

IP(EA), eV:

 -8.32(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N(C)C)C)C

DOS

IR

Vibrations