Geometry & MOs

Info

ID:	348824
PubChem CID:	127274472
Reduced:	S2N3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	346.121195
ΔH_f, kcal/mol:	-105.46
Dipole, Da:	4.64
IP(EA), eV:	-8.75(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]-2-(tetrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)CN3CSCC3=O

DOS

IR

Vibrations