Geometry & MOs

Info

ID:	144510
PubChem CID:	53379797
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	421.146013
ΔH_f, kcal/mol:	-83.03
Dipole, Da:	7.56
IP(EA), eV:	-9.31(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-ethyl 2-[3-[2-(aminomethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]phenoxy]ethanethioate

Drug info:

PubChemData

Smile

COC(=O)COC1=CC(=C(C=C1)C2=CC(=CC=C2)C(=O)NC3=CC=NC=C3)CN

DOS

IR

Vibrations