Geometry & MOs

Info

ID:	146523
PubChem CID:	53699870
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	262.088832
ΔH_f, kcal/mol:	-141.7
Dipole, Da:	4.35
IP(EA), eV:	-9.6(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl 4-(1-phenyltetrazol-5-yl)butanethioate

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C)(C3=CCC=CC3)N)C(=O)O)C

DOS

IR

Vibrations