Geometry & MOs

Info

ID:	300528
PubChem CID:	121360421
Reduced:	NS2O5C17H17 (1)
Stoich.:	AB2C5D17E17 (1)
Weight, g/mol:	287.184506
ΔH_f, kcal/mol:	-166.75
Dipole, Da:	7.91
IP(EA), eV:	-9.33(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethylpropanoylamino)-2-methoxy-N'-propan-2-ylbutanediamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)/C=C\2/C(=O)N(C(=S)S2)[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations