Geometry & MOs

Info

ID:	224820
PubChem CID:	85406103
Reduced:	SiO2N3C16H33 (1)
Stoich.:	AB2C3D16E33 (1)
Weight, g/mol:	724.326085
ΔH_f, kcal/mol:	-116.78
Dipole, Da:	4.58
IP(EA), eV:	-9.08(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-(3-acetamido-2-oxopyridin-1-yl)-3-phenylpropanoyl]amino]-7-oxo-7-(tritylamino)hept-2-enoate

Drug info:

PubChemData

Smile

CC(=CCCC(C)(C(CO[Si](C)(C)C(C)(C)C)O)N=[N+]=[N-])C

DOS

IR

Vibrations