Geometry & MOs

Info

ID:	334182
PubChem CID:	127252734
Reduced:	ClO4N5H16C20 (1)
Stoich.:	AB4C5D16E20 (1)
Weight, g/mol:	432.252526
ΔH_f, kcal/mol:	-33.72
Dipole, Da:	4.58
IP(EA), eV:	-10.04(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(9R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-3-oxopropyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N[C@@H](C(=O)N2)CC(=O)NCC3=NOC(=N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations