Geometry & MOs

Info

ID:	225740
PubChem CID:	87225413
Reduced:	NSO6C21H27 (1)
Stoich.:	ABC6D21E27 (1)
Weight, g/mol:	421.155909
ΔH_f, kcal/mol:	-217.84
Dipole, Da:	4.19
IP(EA), eV:	-9.39(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[3-formyl-4-(2-methoxyethoxymethoxy)phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC(OC)OC1=C(C=C(C=C1)C2=CC=CC=C2S(=O)(=O)NC(C)(C)C)C=O

DOS

IR

Vibrations