Geometry & MOs

Info

ID:	349797
PubChem CID:	127276189
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	340.182064
ΔH_f, kcal/mol:	-161.55
Dipole, Da:	0.8
IP(EA), eV:	-9.76(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]oxane-3-carboxamide

Drug info:

PubChemData

Smile

CC1(C(=O)NC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3CCCOC3

DOS

IR

Vibrations