Geometry & MOs

Info

ID:	349675
PubChem CID:	127275827
Reduced:	ON5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	383.177982
ΔH_f, kcal/mol:	58.81
Dipole, Da:	2.1
IP(EA), eV:	-8.76(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2=NNC(=C2)C(=O)N(C3CC3)C4CCCC5=CC=CC=C45

DOS

IR

Vibrations