Geometry & MOs

Info

ID:	129607
PubChem CID:	51073262
Reduced:	SN2O4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	-84.51
Dipole, Da:	8.83
IP(EA), eV:	-10.06(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropanecarbonylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)N(CC2=CC=CC=C2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations