Geometry & MOs

Info

ID:

180874

PubChem CID:

76698495

Reduced:

NSO6C22H27 (1)

Stoich.:

ABC6D22E27 (1)

Weight, g/mol:

551.127314

ΔHf, kcal/mol:

-240.9

Dipole, Da:

2.63

IP(EA), eV:

 -9.81(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[2-acetamido-3-[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]-3-oxopropyl] 2-[2-(2,6-dichloroanilino)phenyl]ethanethioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)S(=O)(=O)C)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations