Geometry & MOs

Info

ID:	420015
PubChem CID:	135110795
Reduced:	SN2O6C16H24 (1)
Stoich.:	AB2C6D16E24 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-230.32
Dipole, Da:	3.25
IP(EA), eV:	-8.88(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-(morpholine-4-carbonyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1CN(C[C@@H]1O)C(=O)C2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations