Geometry & MOs

Info

ID:	145552
PubChem CID:	53543785
Reduced:	SO2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	333.187484
ΔH_f, kcal/mol:	-74.92
Dipole, Da:	5.01
IP(EA), eV:	-8.63(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(thiomorpholin-4-ylmethyl)phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN2CCCC2C(=O)N3CCSCC3

DOS

IR

Vibrations