Geometry & MOs

Info

ID:	143943
PubChem CID:	53285221
Reduced:	ClFSN2O3C18H20 (1)
Stoich.:	ABCD2E3F18G20 (1)
Weight, g/mol:	438.138006
ΔH_f, kcal/mol:	-150.36
Dipole, Da:	6.59
IP(EA), eV:	-8.92(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CCCC(=O)NCC1=CC=C(C=C1)F)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations