Geometry & MOs

Info

ID:	229596
PubChem CID:	87568112
Reduced:	SN3O3F7H14C22 (1)
Stoich.:	AB3C3D7E14F22 (1)
Weight, g/mol:	458.192961
ΔH_f, kcal/mol:	-351.43
Dipole, Da:	6.14
IP(EA), eV:	-9.91(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-[methyl(1-pyrrolidin-3-ylethyl)amino]-1,3-benzoxazol-5-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(C3=CC(=C(C=C3)C4=NC(=O)ON4)F)OCC(F)(F)F

DOS

IR

Vibrations