Geometry & MOs

Info

ID:

424954

PubChem CID:

135124563

Reduced:

ClFSN3O3C18H19 (1)

Stoich.:

ABCD3E3F18G19 (1)

Weight, g/mol:

648.238197

ΔHf, kcal/mol:

-96.19

Dipole, Da:

1.49

IP(EA), eV:

 -9.42(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-cyano-2-methylphenyl)-3-[3-[[1,1-dihydroxy-4-methyl-8-(trifluoromethyl)-4,5-dihydro-3H-1lambda4,2-benzothiazepin-2-yl]methyl]-4-methylphenyl]-N-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(C3=CC(=C(S3)Cl)CO)C(C)(C)C(=O)O)F)N=N1

DOS

IR

Vibrations