Geometry & MOs

Info

ID:	64244
PubChem CID:	29198656
Reduced:	S2N3O5H21C22 (1)
Stoich.:	A2B3C5D21E22 (1)
Weight, g/mol:	352.199822
ΔH_f, kcal/mol:	-96.53
Dipole, Da:	5.4
IP(EA), eV:	-8.91(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)CNS(=O)(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations