Geometry & MOs

Info

ID:	150441
PubChem CID:	53790131
Reduced:	PBr2N2O4C16H17 (1)
Stoich.:	AB2C2D4E16F17 (1)
Weight, g/mol:	362.126657
ΔH_f, kcal/mol:	-183.06
Dipole, Da:	2.41
IP(EA), eV:	-9.2(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

19-ethyl-7-methoxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OP(=O)(N)O)N(CC1=CC=CC=C1)C2=C(C=C(C=C2)Br)Br

DOS

IR

Vibrations