Geometry & MOs

Info

ID:	66304
PubChem CID:	46504169
Reduced:	O2S2N4C23H38 (1)
Stoich.:	A2B2C4D23E38 (1)
Weight, g/mol:	464.227969
ΔH_f, kcal/mol:	-80.74
Dipole, Da:	4.21
IP(EA), eV:	-8.84(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexen-1-yl)ethyl]-2-[[3-morpholin-4-ylpropyl(thiophen-2-ylmethyl)carbamothioyl]amino]acetamide

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)CNC(=S)N(CCCN2CCOCC2)CC3=CC=CS3

DOS

IR

Vibrations