Geometry & MOs

Info

ID:	41641
PubChem CID:	8146667
Reduced:	S2N4C19H23 (1)
Stoich.:	A2B4C19D23 (1)
Weight, g/mol:	339.123736
ΔH_f, kcal/mol:	120.29
Dipole, Da:	10.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.812939
Charge, e:	0

Chem-info

IUPAC name:

[2-(cycloheptylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

CC[NH+](CC1=CC=CC=C1)CN2C(=S)SC(=N2)NC3=CC=CC(=C3)C

DOS

IR

Vibrations