Geometry & MOs

Info

ID:	159678
PubChem CID:	57288617
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	221.072179
ΔH_f, kcal/mol:	-78.92
Dipole, Da:	2.19
IP(EA), eV:	-8.7(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(prop-2-enoylamino)pentane-1-sulfonic acid

Drug info:

PubChemData

Smile

CN(C)CCCCCNC(=O)CC(CC1=CC=CC=C1)C=O

DOS

IR

Vibrations