Geometry & MOs

Info

ID:	449648
PubChem CID:	135300306
Reduced:	N4O9C18H30 (1)
Stoich.:	A4B9C18D30 (1)
Weight, g/mol:	249.103479
ΔH_f, kcal/mol:	-422.91
Dipole, Da:	6.94
IP(EA), eV:	-10.18(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-carbamoyl-1-methylcyclopropyl)-2,2-dimethylpropane-1-sulfonic acid

Drug info:

PubChemData

Smile

C[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CC[C@@H](C(=O)O)NC

DOS

IR

Vibrations