Geometry & MOs

Info

ID:	244634
PubChem CID:	99368637
Reduced:	OS2N4C22H30 (1)
Stoich.:	AB2C4D22E30 (1)
Weight, g/mol:	422.090489
ΔH_f, kcal/mol:	5.08
Dipole, Da:	3.98
IP(EA), eV:	-8.66(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-(thiomorpholin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)CN4CCSCC4

DOS

IR

Vibrations