Geometry & MOs

Info

ID:	237027
PubChem CID:	92716941
Reduced:	SN3O4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	397.04259
ΔH_f, kcal/mol:	-116.59
Dipole, Da:	7.6
IP(EA), eV:	-8.43(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3R)-5-bromo-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-methylquinazolin-4-one

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC=C(C=C1)N2[C@H](NC3=C(C2=O)SC4=NC(=CC(=C34)COC)C)C

DOS

IR

Vibrations