Geometry & MOs

Info

ID:	431127
PubChem CID:	135171197
Reduced:	FON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	525.229742
ΔH_f, kcal/mol:	-26.33
Dipole, Da:	4.27
IP(EA), eV:	-8.99(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-benzyl-N-[5-[ethyl(1H-indole-2-carbonyl)amino]-1,1-dioxothian-3-yl]carbamate

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=CC=C2)C(=O)C3=NC4=C(N3)C=C(C=C4)F

DOS

IR

Vibrations