Geometry & MOs

Info

ID:	63214
PubChem CID:	26750157
Reduced:	BrNSF2O4H14C17 (1)
Stoich.:	ABCD2E4F14G17 (1)
Weight, g/mol:	410.9873
ΔH_f, kcal/mol:	-196.59
Dipole, Da:	7.5
IP(EA), eV:	-9.24(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)SC(F)F)OC(=O)/C=C/C2=CC=C(O2)Br

DOS

IR

Vibrations