Geometry & MOs

Info

ID:	30653
PubChem CID:	841624
Reduced:	SN3O3H11C12 (1)
Stoich.:	AB3C3D11E12 (1)
Weight, g/mol:	249.118735
ΔH_f, kcal/mol:	-78.16
Dipole, Da:	4.19
IP(EA), eV:	-9.13(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azepan-1-yl-(4-methoxyphenyl)methanethione

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2

DOS

IR

Vibrations