Geometry & MOs

Info

ID:	384222
PubChem CID:	134976559
Reduced:	PSeSiN4O12C47H59 (1)
Stoich.:	ABCD4E12F47G59 (1)
Weight, g/mol:	378.159611
ΔH_f, kcal/mol:	-493.3
Dipole, Da:	9.14
IP(EA), eV:	-8.73(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[butyl(ethoxy)phosphoryl]oxymethyl]-3-(4-methoxyphenoxy)benzene

Drug info:

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=[Se])(C)O[C@H]3C[C@@H](O[C@@H]3COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7C=CC(=O)NC7=O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations