Geometry & MOs

Info

ID:	281746
PubChem CID:	103914302
Reduced:	SN2O2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	283.108754
ΔH_f, kcal/mol:	-80.54
Dipole, Da:	3.85
IP(EA), eV:	-9.26(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC(C1=CC=CS1)O

DOS

IR

Vibrations