Geometry & MOs

Info

ID:	320194
PubChem CID:	126658653
Reduced:	N3O8C26H45 (1)
Stoich.:	A3B8C26D45 (1)
Weight, g/mol:	206.091141
ΔH_f, kcal/mol:	-343.84
Dipole, Da:	3.61
IP(EA), eV:	-9.88(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(disulfanyl)-1-N-ethylcyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

CC(C)CC[C@@H]1C(O1)(C)C2C(C(CC[C@]23CO3)OC(=O)NC(CCCCNC(=O)CN)C(=O)OC)OC

DOS

IR

Vibrations