Geometry & MOs

Info

ID:	152522
PubChem CID:	56311472
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	460.168145
ΔH_f, kcal/mol:	-15.87
Dipole, Da:	5.82
IP(EA), eV:	-8.31(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[4-(3-cyanopyridin-2-yl)-1,4-diazepan-1-yl]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CS2)C3=CC=CC=C3C

DOS

IR

Vibrations