Geometry & MOs

Info

ID:	195038
PubChem CID:	78625374
Reduced:	NSO4C21H23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	293.092417
ΔH_f, kcal/mol:	-140.41
Dipole, Da:	6.91
IP(EA), eV:	-8.12(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)COC(=O)C3CCCO3)C

DOS

IR

Vibrations