Geometry & MOs

Info

ID:	170208
PubChem CID:	75206893
Reduced:	BrO3N5C22H26 (1)
Stoich.:	AB3C5D22E26 (1)
Weight, g/mol:	442.131091
ΔH_f, kcal/mol:	-59.89
Dipole, Da:	1.52
IP(EA), eV:	-8.9(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-oxo-4aH-quinazolin-2-yl)ethyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CCC2C(=C3C(=NN(C3=NC2=O)C)C)C

DOS

IR

Vibrations