Geometry & MOs

Info

ID:	184943
PubChem CID:	77233273
Reduced:	N2S3O6C30H48 (1)
Stoich.:	A2B3C6D30E48 (1)
Weight, g/mol:	294.099791
ΔH_f, kcal/mol:	-227.36
Dipole, Da:	2.7
IP(EA), eV:	-8.34(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-acetylpiperazin-1-yl)-sulfinoamino]-2-aminopropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2.CC=CSCC(C(=O)NC(CSC=CC)C(=O)O)N

DOS

IR

Vibrations