Geometry & MOs

Info

ID:	342786
PubChem CID:	127265949
Reduced:	ClOSN2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	306.151433
ΔH_f, kcal/mol:	-2.15
Dipole, Da:	5.62
IP(EA), eV:	-9.21(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C1=CC(=O)NC=C1)NCC2=CC=C(S2)Cl

DOS

IR

Vibrations