Geometry & MOs

Info

ID:	149476
PubChem CID:	53789149
Reduced:	ClNOSC21H22 (1)
Stoich.:	ABCDE21F22 (1)
Weight, g/mol:	199.157229
ΔH_f, kcal/mol:	-23.31
Dipole, Da:	2.45
IP(EA), eV:	-9.14(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminoethyl 2-propylhex-2-enoate

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)N(C1CCC3=C2C=CC(=C3)SC4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations