Geometry & MOs

Info

ID:	48746
PubChem CID:	11528289
Reduced:	SO9N13F19C51H62 (1)
Stoich.:	AB9C13D19E51F62 (1)
Weight, g/mol:	1393.193681
ΔH_f, kcal/mol:	-1296.69
Dipole, Da:	7.05
IP(EA), eV:	-8.94(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis[3-[tris(3-tripropylsilylpropyl)silyl]propyl]urea

Drug info:

Smile

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)N)NCC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations