Geometry & MOs

Info

ID:	35259
PubChem CID:	7979595
Reduced:	SN3O6C17H25 (1)
Stoich.:	AB3C6D17E25 (1)
Weight, g/mol:	413.162057
ΔH_f, kcal/mol:	-247.37
Dipole, Da:	3.88
IP(EA), eV:	-10.06(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)NC(=O)COC(=O)CNC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(C)C

DOS

IR

Vibrations