Geometry & MOs

Info

ID:

164185

PubChem CID:

74382227

Reduced:

N3O7C48H71 (1)

Stoich.:

A3B7C48D71 (1)

Weight, g/mol:

528.219512

ΔHf, kcal/mol:

-321.0

Dipole, Da:

8.62

IP(EA), eV:

 -9.16(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-2-oxo-3-[phenyl-[4-(pyrrolidin-1-ylmethyl)anilino]methylidene]-1H-indole-5-sulfonamide

Drug info:

PubChemData

Smile

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C)C(=O)NCC6=CC=C(C=C6)C(=O)NCCNC(=O)C

DOS

IR

Vibrations