Geometry & MOs

Info

ID:	273184
PubChem CID:	103770646
Reduced:	NSO2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-108.98
Dipole, Da:	2.67
IP(EA), eV:	-8.53(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-benzoxazol-3-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)CCSC1=CC=C(C=C1)C)O

DOS

IR

Vibrations