Geometry & MOs

Info

ID:	292066
PubChem CID:	114279658
Reduced:	S2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	307.028121
ΔH_f, kcal/mol:	15.58
Dipole, Da:	5.64
IP(EA), eV:	-8.18(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[3-(chloromethyl)phenyl]sulfonylamino]-3-hydroxypropanoate

Drug info:

PubChemData

Smile

CSC1=C(SN=C1N)N2CCC3(C2)CCCC3

DOS

IR

Vibrations