Geometry & MOs

Info

ID:	393038
PubChem CID:	135019059
Reduced:	BrClSN2O2H24C30 (1)
Stoich.:	ABCD2E2F24G30 (1)
Weight, g/mol:	408.168522
ΔH_f, kcal/mol:	19.96
Dipole, Da:	7.48
IP(EA), eV:	-8.62(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C3=C([C@@H]2C4=CC=C(C=C4)Br)C5=CC=CC=C5N3)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations