Geometry & MOs

Info

ID:	84249
PubChem CID:	49865108
Reduced:	SN4O4H18C22 (1)
Stoich.:	AB4C4D18E22 (1)
Weight, g/mol:	434.259423
ΔH_f, kcal/mol:	-63.92
Dipole, Da:	5.98
IP(EA), eV:	-9.32(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclopentyl-1,4-diazepane

Drug info:

PubChemData

Smile

COC1=CC2=C(CN(C2=O)C[C@@]3(C(=O)NC(=O)N3)C4=CC=C(C=C4)C5=NC=CS5)C=C1

DOS

IR

Vibrations