Geometry & MOs

Info

ID:	144508
PubChem CID:	53379553
Reduced:	SN3O3H11C13 (1)
Stoich.:	AB3C3D11E13 (1)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	-66.75
Dipole, Da:	5.63
IP(EA), eV:	-9.14(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[2-(aminomethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC(=O)NS(=O)(=O)C1=CC2=C(C=C1)NC3=C2C=CN=C3

DOS

IR

Vibrations