Geometry & MOs

Info

ID:	77540
PubChem CID:	49655269
Reduced:	SN3O3H17C18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-29.98
Dipole, Da:	7.27
IP(EA), eV:	-8.5(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N2C=NC3=C2NC(=O)CC3C4=CSC=C4)OC

DOS

IR

Vibrations