Geometry & MOs

Info

ID:	273711
PubChem CID:	103771865
Reduced:	OCl2N2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	202.113984
ΔH_f, kcal/mol:	-60.79
Dipole, Da:	3.59
IP(EA), eV:	-9.29(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-methyl-N-(thiolan-3-yl)butanamide

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)NC(C)C1=C(C(=CC=C1)Cl)Cl

DOS

IR

Vibrations