Geometry & MOs

Info

ID:	348666
PubChem CID:	127273777
Reduced:	SN3O4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	377.217538
ΔH_f, kcal/mol:	-135.88
Dipole, Da:	4.53
IP(EA), eV:	-8.68(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]butan-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=NC2=CC3=C(C=C2S1)OCCO3)NC(=O)C4CCCC4

DOS

IR

Vibrations