Geometry & MOs

Info

ID:	33253
PubChem CID:	7885663
Reduced:	SO2N3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	393.189986
ΔH_f, kcal/mol:	-20.47
Dipole, Da:	6.41
IP(EA), eV:	-8.61(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)C(=O)CN3C=NC4=C(C3=O)C(=C(S4)C)C

DOS

IR

Vibrations