Geometry & MOs

Info

ID:	349087
PubChem CID:	127274813
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	315.161663
ΔH_f, kcal/mol:	-117.55
Dipole, Da:	5.46
IP(EA), eV:	-8.86(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butanoyl-N-[(4-methylmorpholin-2-yl)methyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)C2CCN(CC2)C(=O)N(C)CC3=CC=CC=C3

DOS

IR

Vibrations