Geometry & MOs

Info

ID:	137593
PubChem CID:	52231058
Reduced:	ON3C18H24 (1)
Stoich.:	AB3C18D24 (1)
Weight, g/mol:	364.182064
ΔH_f, kcal/mol:	10.56
Dipole, Da:	3.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.983608
Charge, e:	0

Chem-info

IUPAC name:

N-cyclooctyl-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NCC2=CC(=CC=C2)C[NH+](C)C

DOS

IR

Vibrations