Geometry & MOs

Info

ID:	276023
PubChem CID:	103820015
Reduced:	S2N3O3C12H21 (1)
Stoich.:	A2B3C3D12E21 (1)
Weight, g/mol:	254.09498
ΔH_f, kcal/mol:	-109.36
Dipole, Da:	9.42
IP(EA), eV:	-9.03(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butan-1-ol

Drug info:

PubChemData

Smile

CC(C(CO)SC)NC1=NC=C(C=C1)S(=O)(=O)N(C)C

DOS

IR

Vibrations