Geometry & MOs

Info

ID:	365526
PubChem CID:	127317974
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	313.182398
ΔH_f, kcal/mol:	-110.14
Dipole, Da:	2.51
IP(EA), eV:	-8.65(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-(thian-4-ylmethylcarbamoylamino)acetamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NC(C)CCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations