Geometry & MOs

Info

ID:	140515
PubChem CID:	52713528
Reduced:	NSO2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	279.115381
ΔH_f, kcal/mol:	-41.34
Dipole, Da:	4.45
IP(EA), eV:	-8.98(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-2-(tetrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=C/C(=O)N[C@@H](CC(C)C)C2=CC=CS2

DOS

IR

Vibrations