Geometry & MOs

Info

ID:	275740
PubChem CID:	103817350
Reduced:	ClSN2O2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	311.103669
ΔH_f, kcal/mol:	-88.45
Dipole, Da:	2.84
IP(EA), eV:	-8.61(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-5-nitropyridin-3-yl)-(2-ethylazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=N1)C(=O)NCC(C)(CSC)O)Cl

DOS

IR

Vibrations