Geometry & MOs

Info

ID:	73827
PubChem CID:	48420591
Reduced:	SN2O4H16C22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-41.55
Dipole, Da:	7.97
IP(EA), eV:	-9.14(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 3-(2,2-dimethylpropanoylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)OC(=O)C3=CC=C(S3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations