Geometry & MOs

Info

ID:	140908
PubChem CID:	52781667
Reduced:	N3O3C25H37 (1)
Stoich.:	A3B3C25D37 (1)
Weight, g/mol:	388.125692
ΔH_f, kcal/mol:	-156.26
Dipole, Da:	0.88
IP(EA), eV:	-9.59(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(ethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-methyl-N-prop-2-ynylbenzamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCC(CC1)NC(=O)C2CCCCC2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations