Geometry & MOs

Info

ID:	221334
PubChem CID:	85267714
Reduced:	O4N6C19H26 (1)
Stoich.:	A4B6C19D26 (1)
Weight, g/mol:	402.20723
ΔH_f, kcal/mol:	-137.46
Dipole, Da:	4.66
IP(EA), eV:	-9.27(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1,3-dimethyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl)-1-phenylprop-2-enyl]oxan-2-one

Drug info:

PubChemData

Smile

CC1(OC2C(O1)C(OC2C(=O)NC3CCCCC3)N4C=NC5=C(N=CN=C54)N)C

DOS

IR

Vibrations