Geometry & MOs

Info

ID:

187261

PubChem CID:

77552011

Reduced:

ClO4N5C42H52 (1)

Stoich.:

AB4C5D42E52 (1)

Weight, g/mol:

740.98108

ΔHf, kcal/mol:

-103.76

Dipole, Da:

2.79

IP(EA), eV:

 -8.87(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

3-benzyl-4-[2-[[3-(3-bromo-4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-4,5-dichloro-N-sulfinatoanilino]-1,2,5-thiadiazole

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(C)(C)C)C2=NC(C(N2C(=O)N3CCN(CC3)CC(=O)N4CCOCC4)C5=CC=C(C=C5)C=C)C6=CC=C(C=C6)C=C.Cl

DOS

IR

Vibrations