Geometry & MOs

Info

ID:	149048
PubChem CID:	53788719
Reduced:	SN4O4C17H22 (1)
Stoich.:	AB4C4D17E22 (1)
Weight, g/mol:	448.091592
ΔH_f, kcal/mol:	-110.52
Dipole, Da:	7.42
IP(EA), eV:	-8.71(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethoxy-5-methylphenyl) N-[4-acetyl-2-(trifluoromethyl)anilino]sulfamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCNC(=O)NC2=CC=C(C=C2)NNS(=O)(=O)C)C

DOS

IR

Vibrations