Geometry & MOs

Info

ID:	335515
PubChem CID:	127254377
Reduced:	O2N3C25H27 (1)
Stoich.:	A2B3C25D27 (1)
Weight, g/mol:	332.116778
ΔH_f, kcal/mol:	-6.82
Dipole, Da:	5.95
IP(EA), eV:	-8.63(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-2-(tetrazol-1-yl)-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pentanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CNC(=O)CCCN2C=CC=C2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations