Geometry & MOs

Info

ID:	33738
PubChem CID:	7887832
Reduced:	OS2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	380.00595
ΔH_f, kcal/mol:	28.28
Dipole, Da:	6.22
IP(EA), eV:	-8.74(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC[C@H](C)N1C(=CC=N1)NC(=O)[C@H](C)SC2=NC(=NC3=C2C4=C(S3)CCC4)C

DOS

IR

Vibrations