Geometry & MOs

Info

ID:	237400
PubChem CID:	92719046
Reduced:	ClSO2F3N4H16C19 (1)
Stoich.:	ABC2D3E4F16G19 (1)
Weight, g/mol:	471.092263
ΔH_f, kcal/mol:	-154.71
Dipole, Da:	6.24
IP(EA), eV:	-9.04(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C=C(C=C3Cl)C(F)(F)F

DOS

IR

Vibrations