Geometry & MOs

Info

ID:	234100
PubChem CID:	92297724
Reduced:	BrOSN3H24C29 (1)
Stoich.:	ABCD3E24F29 (1)
Weight, g/mol:	264.11503
ΔH_f, kcal/mol:	75.86
Dipole, Da:	2.69
IP(EA), eV:	-8.96(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-phenanthren-4-ylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)[C@@H](C)SC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N

DOS

IR

Vibrations