Geometry & MOs

Info

ID:	159113
PubChem CID:	57260398
Reduced:	SN4O5C25H36 (1)
Stoich.:	AB4C5D25E36 (1)
Weight, g/mol:	549.219846
ΔH_f, kcal/mol:	-84.53
Dipole, Da:	4.91
IP(EA), eV:	-8.75(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilino-5-[(N-anilinoanilino)methyl]-3-(benzylamino)benzenesulfonamide

Drug info:

PubChemData

Smile

CN(C)CC1=CC=C(O1)CSCCNC(=NCCCOC2(CCC3=CC=CC=C32)OC)C[N+](=O)[O-]

DOS

IR

Vibrations