Geometry & MOs

Info

ID:

214997

PubChem CID:

85083973

Reduced:

S2F3N3O4C33H40 (1)

Stoich.:

A2B3C3D4E33F40 (1)

Weight, g/mol:

663.39306

ΔHf, kcal/mol:

-250.21

Dipole, Da:

8.0

IP(EA), eV:

 -8.63(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3,4-diethylphenyl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-dihydro-1H-thieno[3,4-d][1,3]diazepin-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(CC#C)C1CCC(C(C1)CS(=O)(=O)C2=CC=C(C=C2)SC)N3CCC(C3=O)(C)NC(=O)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations