Geometry & MOs

Info

ID:	349986
PubChem CID:	127276858
Reduced:	OSN5C21H27 (1)
Stoich.:	ABC5D21E27 (1)
Weight, g/mol:	324.173231
ΔH_f, kcal/mol:	41.62
Dipole, Da:	3.65
IP(EA), eV:	-8.65(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C2C=NN(C2=N1)CC3=CC=CS3)C(=O)N4CCCN(CC4)C(C)C

DOS

IR

Vibrations