Geometry & MOs

Info

ID:

433641

PubChem CID:

135173781

Reduced:

O8N22C41H80 (1)

Stoich.:

A8B22C41D80 (1)

Weight, g/mol:

484.141656

ΔHf, kcal/mol:

-337.91

Dipole, Da:

10.7

IP(EA), eV:

 -8.96(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]sulfamoyl]-4-methoxybenzoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)C(C)C)NC(=O)C

DOS

IR

Vibrations