Geometry & MOs

Info

ID:	336236
PubChem CID:	127255243
Reduced:	F2N3O3H19C23 (1)
Stoich.:	A2B3C3D19E23 (1)
Weight, g/mol:	357.162332
ΔH_f, kcal/mol:	-154.65
Dipole, Da:	6.4
IP(EA), eV:	-8.36(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-adamantyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=CC(=CC=C5)OC(F)F

DOS

IR

Vibrations