Geometry & MOs

Info

ID:

168332

PubChem CID:

74953576

Reduced:

S2N9O10C42H77 (1)

Stoich.:

A2B9C10D42E77 (1)

Weight, g/mol:

549.209756

ΔHf, kcal/mol:

-572.33

Dipole, Da:

8.15

IP(EA), eV:

 -9.0(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[cyclopropylmethyl-[[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]sulfamoyl]benzoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CS)C(=O)NC(CC(C)C)C(=O)NC(CS)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(C)N

DOS

IR

Vibrations