Geometry & MOs

Info

ID:	195963
PubChem CID:	78755021
Reduced:	OSN5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	395.177982
ΔH_f, kcal/mol:	29.61
Dipole, Da:	3.26
IP(EA), eV:	-9.46(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylbutyl)acetamide

Drug info:

PubChemData

Smile

CCNC(=O)C(C)SC1=NN=NN1C2=C(C=CC(=C2)C)C

DOS

IR

Vibrations