Geometry & MOs

Info

ID:	431119
PubChem CID:	135171189
Reduced:	O2N5C26H27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	382.192629
ΔH_f, kcal/mol:	31.48
Dipole, Da:	3.71
IP(EA), eV:	-9.14(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-benzyl-N-[5-(ethylamino)-1,1-dioxothian-3-yl]carbamate

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=C(C3=CC=CC=C3O2)C#N)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations