Geometry & MOs

Info

ID:	242910
PubChem CID:	99214115
Reduced:	BrSN2O2C22H23 (1)
Stoich.:	ABC2D2E22F23 (1)
Weight, g/mol:	360.147393
ΔH_f, kcal/mol:	-31.91
Dipole, Da:	5.91
IP(EA), eV:	-9.19(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,7-trimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NCC1=CSC(=C1)Br)NC(=O)CC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations