Geometry & MOs

Info

ID:	357116
PubChem CID:	127293342
Reduced:	O2S2N3C17H27 (1)
Stoich.:	A2B2C3D17E27 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-93.92
Dipole, Da:	2.57
IP(EA), eV:	-8.68(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(cyclopentanecarbonylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(C)N(C)C(=O)CSCC(=O)N2CCCCC2

DOS

IR

Vibrations