Geometry & MOs

Info

ID:	242860
PubChem CID:	99213406
Reduced:	SN2F3O4H21C22 (1)
Stoich.:	AB2C3D4E21F22 (1)
Weight, g/mol:	401.06266
ΔH_f, kcal/mol:	-301.43
Dipole, Da:	4.57
IP(EA), eV:	-8.8(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[C@@H]2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F

DOS

IR

Vibrations