Geometry & MOs

Info

ID:	342413
PubChem CID:	127265236
Reduced:	SN3O3C14H23 (1)
Stoich.:	AB3C3D14E23 (1)
Weight, g/mol:	305.094646
ΔH_f, kcal/mol:	-96.35
Dipole, Da:	5.67
IP(EA), eV:	-9.2(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxyphenyl)-[3-(2H-tetrazol-5-yl)thiomorpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)N(CCS(=O)(=O)C)C(=O)C=CC1=CC=NN1C

DOS

IR

Vibrations