Geometry & MOs

Info

ID:	360547
PubChem CID:	127301192
Reduced:	SN4O4C18H22 (1)
Stoich.:	AB4C4D18E22 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-156.8
Dipole, Da:	6.74
IP(EA), eV:	-8.8(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCSCC2)NC(=O)CN3CCC(=O)NC3=O

DOS

IR

Vibrations