Geometry & MOs

Info

ID:	354275
PubChem CID:	127286239
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	360.107854
ΔH_f, kcal/mol:	-157.56
Dipole, Da:	4.41
IP(EA), eV:	-8.49(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-1,4-thiazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CNC(=O)NC2=CC3=C(C=C2SC)OCCO3

DOS

IR

Vibrations