Geometry & MOs

Info

ID:	237287
PubChem CID:	92718089
Reduced:	OS2N7H21C25 (1)
Stoich.:	AB2C7D21E25 (1)
Weight, g/mol:	475.113667
ΔH_f, kcal/mol:	150.74
Dipole, Da:	9.08
IP(EA), eV:	-8.2(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-7-[[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCC1=NN2C(=O)C=C(N=C2S1)CSC3=NNC(=C4C=NC5=CC=CC=C54)N3C6=CC=CC(=C6)C

DOS

IR

Vibrations