Geometry & MOs

Info

ID:	369226
PubChem CID:	127331543
Reduced:	NSO4C16H29 (1)
Stoich.:	ABC4D16E29 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-217.93
Dipole, Da:	6.32
IP(EA), eV:	-9.72(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-benzoxazol-3-yl)-N-[(2-tert-butyloxan-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)CC2CCS(=O)(=O)C2

DOS

IR

Vibrations