Geometry & MOs

Info

ID:	65422
PubChem CID:	29214923
Reduced:	OSN7C19H23 (1)
Stoich.:	ABC7D19E23 (1)
Weight, g/mol:	407.156201
ΔH_f, kcal/mol:	85.22
Dipole, Da:	9.54
IP(EA), eV:	-8.97(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-[[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1-methylthiourea

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CSC1=NN=C(N1N)N/N=C\C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations