Geometry & MOs

Info

ID:	184484
PubChem CID:	77167555
Reduced:	FO3N6C23H25 (1)
Stoich.:	AB3C6D23E25 (1)
Weight, g/mol:	463.14705
ΔH_f, kcal/mol:	-63.33
Dipole, Da:	5.16
IP(EA), eV:	-8.7(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-bromo-3-methylbutanoyl)amino]-N-[3-(2-methyl-1,3-benzoxazol-6-yl)propyl]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)OC3C(=CC=NC3=O)NCC4=CC=CC=N4)F

DOS

IR

Vibrations