Geometry & MOs

Info

ID:	201815
PubChem CID:	79587460
Reduced:	BrOSN2C16H23 (1)
Stoich.:	ABCD2E16F23 (1)
Weight, g/mol:	312.173231
ΔH_f, kcal/mol:	-10.55
Dipole, Da:	0.68
IP(EA), eV:	-8.83(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C(C1)(CO)NC2CC2)CCSC3=NC=C(C=C3)Br

DOS

IR

Vibrations