Geometry & MOs

Info

ID:	419290
PubChem CID:	135107902
Reduced:	SO3N4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	382.175339
ΔH_f, kcal/mol:	-92.51
Dipole, Da:	3.07
IP(EA), eV:	-9.06(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N(CCO)CC1=CN=CN1C)NC(=O)C2=CC=CS2

DOS

IR

Vibrations