Geometry & MOs

Info

ID:	322228
PubChem CID:	126669288
Reduced:	ClFOSN3C24H29 (1)
Stoich.:	ABCDE3F24G29 (1)
Weight, g/mol:	608.361408
ΔH_f, kcal/mol:	3.3
Dipole, Da:	4.51
IP(EA), eV:	-7.21(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[2-[(2-butoxy-3-trityloxypropyl)-propylamino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=C(C=C2C#N)F)C(C)C3=CN=C(C=C3)Cl)COCCS(C)(C)C)C

DOS

IR

Vibrations