Geometry & MOs

Info

ID:	154977
PubChem CID:	56314537
Reduced:	O2N3S3C24H25 (1)
Stoich.:	A2B3C3D24E25 (1)
Weight, g/mol:	415.084676
ΔH_f, kcal/mol:	0.88
Dipole, Da:	4.07
IP(EA), eV:	-8.4(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)COC3=CC4=C(C5=C3C=CS5)N=C(S4)C

DOS

IR

Vibrations