Geometry & MOs

Info

ID:	375786
PubChem CID:	134221776
Reduced:	SN2O4H14C17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	458.187543
ΔH_f, kcal/mol:	-93.1
Dipole, Da:	5.97
IP(EA), eV:	-9.02(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[2-[4-(3-formamido-2-methylsulfanyl-3-oxopropyl)phenoxy]ethyl]pyridin-3-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(=O)COC2=CC=C(C=C2)C[C@@H]3C(=O)NC(=O)S3

DOS

IR

Vibrations