Geometry & MOs

Info

ID:	337128
PubChem CID:	127256693
Reduced:	N5C9H9 (1)
Stoich.:	A5B9C9 (1)
Weight, g/mol:	501.042013
ΔH_f, kcal/mol:	139.18
Dipole, Da:	2.32
IP(EA), eV:	-9.6(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(4-chlorophenyl)sulfanylmethyl]-2-(trifluoromethyl)phenyl]-3-[[2-(tetrazol-2-yl)acetyl]amino]thiourea

Drug info:

PubChemData

Smile

CC1=NN(N=N1)/N=C/C2=CC=CC=C2

DOS

IR

Vibrations