Geometry & MOs

Info

ID:	391035
PubChem CID:	135002352
Reduced:	NSiH21C23 (1)
Stoich.:	ABC21D23 (1)
Weight, g/mol:	387.182792
ΔH_f, kcal/mol:	67.99
Dipole, Da:	4.93
IP(EA), eV:	-9.06(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-ethyl 2-cyano-2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]butanethioate

Drug info:

PubChemData

Smile

CC(C)(C)[Si]1(C2=CC=CC=C2C3=C1C=C(C=C3)C#N)C4=CC=CC=C4

DOS

IR

Vibrations