Geometry & MOs

Info

ID:	196640
PubChem CID:	78857101
Reduced:	ClSO2N3C17H18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-22.69
Dipole, Da:	4.52
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxypropan-2-yl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NC(C)CO)CC3=CC=CC=C3Cl

DOS

IR

Vibrations