Geometry & MOs

Info

ID:	334773
PubChem CID:	127253448
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	495.175398
ΔH_f, kcal/mol:	-46.11
Dipole, Da:	8.53
IP(EA), eV:	-8.44(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-11-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)acetyl]-5-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)C(=O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4)C

DOS

IR

Vibrations