Geometry & MOs

Info

ID:	261792
PubChem CID:	103251168
Reduced:	NO2C10H17 (1)
Stoich.:	AB2C10D17 (1)
Weight, g/mol:	251.082744
ΔH_f, kcal/mol:	-72.79
Dipole, Da:	7.17
IP(EA), eV:	-9.98(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothian-3-yl)amino]-3-methoxypropanoic acid

Drug info:

PubChemData

Smile

CC(CC1CC1)NCC(=C)C(=O)O

DOS

IR

Vibrations