Geometry & MOs

Info

ID:	126690
PubChem CID:	50973312
Reduced:	SN5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	341.105879
ΔH_f, kcal/mol:	110.33
Dipole, Da:	3.98
IP(EA), eV:	-8.41(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-phenylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2C=NC(=C2C3=CN(N=C3)C(C)C)C4=CC=CC=C4

DOS

IR

Vibrations