Geometry & MOs

Info

ID:	349637
PubChem CID:	127275789
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	369.208613
ΔH_f, kcal/mol:	-87.53
Dipole, Da:	3.61
IP(EA), eV:	-8.68(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CCNC(=O)N1CCCC1C2=C3C(=CC=C2)OCCO3)C4CC4

DOS

IR

Vibrations