Geometry & MOs

Info

ID:	376098
PubChem CID:	134222101
Reduced:	SN2O5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	458.187543
ΔH_f, kcal/mol:	-186.69
Dipole, Da:	4.75
IP(EA), eV:	-8.96(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[2-[4-(3-formamido-2-methylsulfanyl-3-oxopropyl)phenoxy]ethyl]pyridin-3-yl]ethyl 2-methylpropanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC(C)C1=CN=C(C=C1)CCOC2=CC=C(C=C2)C[C@@H]3C(=O)NC(=O)S3

DOS

IR

Vibrations