Geometry & MOs

Info

ID:	402364
PubChem CID:	135055681
Reduced:	BrNO2H18C22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	404.153621
ΔH_f, kcal/mol:	-5.93
Dipole, Da:	6.64
IP(EA), eV:	-9.37(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (NZ)-N-[(3S)-3-benzamido-3-(4-fluorophenyl)-1-phenylpropylidene]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C[C@@H](C2=CC=CC=C2Br)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations