Geometry & MOs

Info

ID:	130888
PubChem CID:	51122661
Reduced:	O2S2N3C18H25 (1)
Stoich.:	A2B2C3D18E25 (1)
Weight, g/mol:	477.201219
ΔH_f, kcal/mol:	-68.15
Dipole, Da:	3.71
IP(EA), eV:	-9.15(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-4-[[[6-(2-ethoxyphenoxy)pyridin-3-yl]methylcarbamoylamino]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NC(CC(C)C)C2=CC=CS2

DOS

IR

Vibrations