Geometry & MOs

Info

ID:	214909
PubChem CID:	85083831
Reduced:	NO9C36H47 (1)
Stoich.:	AB9C36D47 (1)
Weight, g/mol:	637.333814
ΔH_f, kcal/mol:	-365.98
Dipole, Da:	1.27
IP(EA), eV:	-9.14(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-(benzylamino)-1-oxopentan-2-yl]amino]-3-tritylsulfanylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1CCC2(CC3CC(O2)CC=C(CC(C=CC=C4COC5C4(C(C=C(C5O)COC(=O)C6=CC=CN6)C(=O)O3)O)C)C)OC1C

DOS

IR

Vibrations