Geometry & MOs

Info

ID:	349701
PubChem CID:	127275853
Reduced:	SO2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	316.099397
ΔH_f, kcal/mol:	31.29
Dipole, Da:	3.39
IP(EA), eV:	-9.45(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxoazepan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCCCC2)NC(=O)C3=CN=C(S3)C4=CC=CC=N4

DOS

IR

Vibrations