Geometry & MOs

Info

ID:	216755
PubChem CID:	85086727
Reduced:	NSO2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	299.209658
ΔH_f, kcal/mol:	-17.57
Dipole, Da:	2.0
IP(EA), eV:	-8.24(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-cyclododecyloxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C=CSCC2=CC=CC=C2

DOS

IR

Vibrations