Geometry & MOs

Info

ID:	304338
PubChem CID:	124542057
Reduced:	BrSN3O4H20C24 (1)
Stoich.:	ABC3D4E20F24 (1)
Weight, g/mol:	543.138341
ΔH_f, kcal/mol:	-66.37
Dipole, Da:	3.92
IP(EA), eV:	-8.51(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)Br)O2)C

DOS

IR

Vibrations