Geometry & MOs

Info

ID:	148656
PubChem CID:	53788324
Reduced:	SCl2N3O4H21C23 (1)
Stoich.:	AB2C3D4E21F23 (1)
Weight, g/mol:	212.17763
ΔH_f, kcal/mol:	-101.96
Dipole, Da:	5.14
IP(EA), eV:	-8.78(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-prop-1-enylhexanoate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(=CCCCC(=O)O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C(=C3)Cl)N)Cl

DOS

IR

Vibrations