Geometry & MOs

Info

ID:	335919
PubChem CID:	127254781
Reduced:	SN3O3H17C18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	304.176007
ΔH_f, kcal/mol:	-35.26
Dipole, Da:	6.34
IP(EA), eV:	-8.6(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)N2CCCC2C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations