Geometry & MOs

Info

ID:	220102
PubChem CID:	85165244
Reduced:	SSi2O5C35H62 (1)
Stoich.:	AB2C5D35E62 (1)
Weight, g/mol:	651.232913
ΔH_f, kcal/mol:	-386.4
Dipole, Da:	2.25
IP(EA), eV:	-8.66(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]amino]phenyl] 5-amino-2-benzamido-5-oxopentanoate

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CCC2O[Si](C)(C)C(C)(C)C)CCC4=C3C=CC(=C4)O[Si](C)(C)C(C)(C)C)CCCCOS(=O)(=O)C

DOS

IR

Vibrations