Geometry & MOs

Info

ID:	275986
PubChem CID:	103819747
Reduced:	NSO5H19C23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	461.129694
ΔH_f, kcal/mol:	-129.05
Dipole, Da:	3.78
IP(EA), eV:	-8.93(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-methylsulfanylphenyl)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)C4=CC=CS4)C(=O)O

DOS

IR

Vibrations