Geometry & MOs

Info

ID:

169035

PubChem CID:

75057621

Reduced:

ClFSN3O4C30H41 (1)

Stoich.:

ABCD3E4F30G41 (1)

Weight, g/mol:

594.195521

ΔHf, kcal/mol:

-224.84

Dipole, Da:

0.8

IP(EA), eV:

 -9.05(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[5-tert-butyl-2-(4-chlorophenyl)-1-(2-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carbonyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC(=C1)CNC2CS(=O)(=O)CC(C2O)CC3=CC(=C(C(=C3)Cl)NC(=O)CN4CCCCC4)F

DOS

IR

Vibrations