Geometry & MOs

Info

ID:	218726
PubChem CID:	85089873
Reduced:	O5C31H48 (1)
Stoich.:	A5B31C48 (1)
Weight, g/mol:	500.02662
ΔH_f, kcal/mol:	-214.31
Dipole, Da:	3.31
IP(EA), eV:	-9.72(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[[5-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-1,3,4-thiadiazol-2-yl]methylamino]-2-methylquinazolin-4-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(C1CCC(O1)C(CCC#C)OC(=O)C2=CC=CC=C2)OCOC

DOS

IR

Vibrations