Geometry & MOs

Info

ID:	151994
PubChem CID:	56310830
Reduced:	SN2O2C17H28 (1)
Stoich.:	AB2C2D17E28 (1)
Weight, g/mol:	361.134779
ΔH_f, kcal/mol:	-88.18
Dipole, Da:	4.08
IP(EA), eV:	-9.43(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-4-(3-phenylbutylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CC1CC(CN(C1)S(=O)(=O)NCCC(C)C2=CC=CC=C2)C

DOS

IR

Vibrations