Geometry & MOs

Info

ID:	202105
PubChem CID:	79629902
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	204.118401
ΔH_f, kcal/mol:	-96.23
Dipole, Da:	5.38
IP(EA), eV:	-8.45(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-butylsulfanyl-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NCC(C)(C)C(=O)OC

DOS

IR

Vibrations