Geometry & MOs

Info

ID:	282127
PubChem CID:	103916442
Reduced:	SO3N4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	312.114378
ΔH_f, kcal/mol:	-78.03
Dipole, Da:	7.09
IP(EA), eV:	-9.61(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-propanoylphenyl)sulfonylamino]pentanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)S(=O)(=O)NCCNC(=O)N(C)C

DOS

IR

Vibrations