Geometry & MOs

Info

ID:	224980
PubChem CID:	85735284
Reduced:	NS2O4C34H49 (1)
Stoich.:	AB2C4D34E49 (1)
Weight, g/mol:	450.230728
ΔH_f, kcal/mol:	-138.22
Dipole, Da:	8.41
IP(EA), eV:	-9.47(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(benzylamino)-2-(tritylamino)propanoate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)SSC5=CC(=C(C=C5)[N+](=O)[O-])C(=O)O)C)C

DOS

IR

Vibrations