Geometry & MOs

Info

ID:	219831
PubChem CID:	85164941
Reduced:	SN4O4F6C26H26 (1)
Stoich.:	AB4C4D6E26F26 (1)
Weight, g/mol:	604.253314
ΔH_f, kcal/mol:	-354.86
Dipole, Da:	4.45
IP(EA), eV:	-9.19(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[bis(phenylmethoxycarbonylamino)methylideneamino]methyl]phenyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)SC3COC(OC3)C=CC4=CN=C(C=C4)OCC(C(F)F)(F)F

DOS

IR

Vibrations