Geometry & MOs

Info

ID:	351998
PubChem CID:	127282916
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	299.166748
ΔH_f, kcal/mol:	-91.37
Dipole, Da:	3.98
IP(EA), eV:	-8.68(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[4-(methylcarbamoyl)cyclohexyl]thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)N2CCN(CC2)C(=O)NC3CC(=O)N(C3)C4=CC=CC=C4

DOS

IR

Vibrations