Geometry & MOs

Info

ID:	147658
PubChem CID:	53787315
Reduced:	NH16C17 (2)
Stoich.:	AB16C17 (2)
Weight, g/mol:	393.141008
ΔH_f, kcal/mol:	74.18
Dipole, Da:	0.76
IP(EA), eV:	-8.01(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-(4-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)-3-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=C(C=C3)C)N)C4=CC=C(C=C4)C)N)C5=CC=C(C=C5)C

DOS

IR

Vibrations