Geometry & MOs

Info

ID:	49407
PubChem CID:	11532983
Reduced:	ClNSO4C25H28 (1)
Stoich.:	ABCD4E25F28 (1)
Weight, g/mol:	474.106099
ΔH_f, kcal/mol:	-133.92
Dipole, Da:	2.16
IP(EA), eV:	-8.66(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[[(1R)-2-amino-2-oxo-1-phenylethyl]-(2,4-difluorophenyl)sulfonylamino]methyl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1SC2=C(C=C(C=C2)/C=C/C(=O)N3CCCCC3C(=O)OCC)Cl

DOS

IR

Vibrations