Geometry & MOs

Info

ID:	56207
PubChem CID:	17422555
Reduced:	OSN6H18C19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	389.131031
ΔH_f, kcal/mol:	107.85
Dipole, Da:	2.93
IP(EA), eV:	-8.54(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-quinazolin-4-ylsulfanylacetamide

Drug info:

PubChemData

Smile

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CSC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations