Geometry & MOs

Info

ID:	335561
PubChem CID:	127254423
Reduced:	NOSeC15H19 (1)
Stoich.:	ABCD15E19 (1)
Weight, g/mol:	373.132094
ΔH_f, kcal/mol:	3.33
Dipole, Da:	0.98
IP(EA), eV:	-8.48(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methyl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)/C(=N/O)/CC([Se]2)C3=CC=CC=C3

DOS

IR

Vibrations