Geometry & MOs

Info

ID:	55467
PubChem CID:	17395429
Reduced:	OS2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	39.9
Dipole, Da:	3.91
IP(EA), eV:	-8.17(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[3-(pyridin-4-ylmethylcarbamoyl)phenyl]carbamate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNC(=O)CC2=CSC(=N2)C3=CSC=C3

DOS

IR

Vibrations