Geometry & MOs

Info

ID:	140634
PubChem CID:	52733953
Reduced:	F2N3O3H23C24 (1)
Stoich.:	A2B3C3D23E24 (1)
Weight, g/mol:	369.033477
ΔH_f, kcal/mol:	-141.4
Dipole, Da:	2.18
IP(EA), eV:	-9.1(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)/C=C/C(=O)N[C@@H](CC(=O)OC)C3=CC=C(C=C3)F

DOS

IR

Vibrations