Geometry & MOs

Info

ID:	157643
PubChem CID:	56436255
Reduced:	SN2O7C20H30 (1)
Stoich.:	AB2C7D20E30 (1)
Weight, g/mol:	450.162471
ΔH_f, kcal/mol:	-302.12
Dipole, Da:	6.51
IP(EA), eV:	-9.67(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[ethyl-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CCN(CC(C)C(=O)OC)C(=O)C(CCS(=O)(=O)C)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations