Geometry & MOs

Info

ID:	195023
PubChem CID:	78622899
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	331.056152
ΔH_f, kcal/mol:	-125.65
Dipole, Da:	7.42
IP(EA), eV:	-8.8(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-methylidenequinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=C2)N4CCCC4C(=O)N3

DOS

IR

Vibrations