Geometry & MOs

Info

ID:	415782
PubChem CID:	135088783
Reduced:	SN2O3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	-25.95
Dipole, Da:	5.54
IP(EA), eV:	-9.33(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-methyltetrazol-1-yl)methyl]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCC4(CC3)C5=C(CCO4)SC=C5

DOS

IR

Vibrations