Geometry & MOs

Info

ID:	420828
PubChem CID:	135114896
Reduced:	SN3O4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	382.175339
ΔH_f, kcal/mol:	-124.84
Dipole, Da:	3.14
IP(EA), eV:	-9.79(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)S(=O)(=O)N)C(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations