Geometry & MOs

Info

ID:	347492
PubChem CID:	127272347
Reduced:	O3N5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	389.127009
ΔH_f, kcal/mol:	-42.05
Dipole, Da:	6.35
IP(EA), eV:	-9.28(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NN2)C(=O)N3CCN(CC3)C(=O)C4=CNC(=O)C=C4

DOS

IR

Vibrations