Geometry & MOs

Info

ID:	196624
PubChem CID:	78855858
Reduced:	BrN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	322.08097
ΔH_f, kcal/mol:	-103.21
Dipole, Da:	3.34
IP(EA), eV:	-9.41(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxypropyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CCN1C=NC2=C(C1=O)C=C(C=C2)Br)O

DOS

IR

Vibrations