Geometry & MOs

Info

ID:	369221
PubChem CID:	127331538
Reduced:	SN2O4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	-148.82
Dipole, Da:	3.88
IP(EA), eV:	-9.75(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-3-(triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3CC3

DOS

IR

Vibrations