Geometry & MOs

Info

ID:	225739
PubChem CID:	87225412
Reduced:	SN6O8C33H42 (1)
Stoich.:	AB6C8D33E42 (1)
Weight, g/mol:	421.155909
ΔH_f, kcal/mol:	-257.4
Dipole, Da:	10.94
IP(EA), eV:	-8.56(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[4-[ethoxy(methoxy)methoxy]-3-formylphenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCOCCOCCOCCCNC(=O)C(C)(C)C1=C/C(=C\2/NC3=C(N2)C=C(C=C3)C(=N)N)/C(=O)C(=C1)C4=C(C=CC(=C4)S(=O)(=O)N)O

DOS

IR

Vibrations