Geometry & MOs

Info

ID:	443080
PubChem CID:	135257629
Reduced:	NSF5O5C21H22 (1)
Stoich.:	ABC5D5E21F22 (1)
Weight, g/mol:	589.246438
ΔH_f, kcal/mol:	-392.7
Dipole, Da:	5.4
IP(EA), eV:	-9.66(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[[4-(furan-3-yl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylmethoxybenzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H](COCC1=CC=CC=C1)N(C)S(=O)(=O)C2=C(C(=C(C(=C2F)F)F)F)F

DOS

IR

Vibrations