Geometry & MOs

Info

ID:	262026
PubChem CID:	103266733
Reduced:	SN2O3C11H22 (1)
Stoich.:	AB2C3D11E22 (1)
Weight, g/mol:	312.12407
ΔH_f, kcal/mol:	-151.27
Dipole, Da:	7.29
IP(EA), eV:	-8.51(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[[2-(3,3-dimethylbutylamino)acetyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC(CCNCC(C(=O)OC)NC(=O)C)SC

DOS

IR

Vibrations