Geometry & MOs

Info

ID:	404040
PubChem CID:	135064685
Reduced:	ClNSO4C24H32 (1)
Stoich.:	ABCD4E24F32 (1)
Weight, g/mol:	271.178358
ΔH_f, kcal/mol:	-167.11
Dipole, Da:	7.26
IP(EA), eV:	-9.72(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(CCCCCCCOC(=O)C2=CC=CC=C2)Cl

DOS

IR

Vibrations