Geometry & MOs

Info

ID:	196762
PubChem CID:	78875145
Reduced:	SCl2O2N5H15C18 (1)
Stoich.:	AB2C2D5E15F18 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	1.92
Dipole, Da:	3.36
IP(EA), eV:	-9.06(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-(3-hydroxypropyl)-4-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CSC(=N2)NC(=O)NCCNC(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations