Geometry & MOs

Info

ID:	236472
PubChem CID:	92713350
Reduced:	NSO3C23H31 (1)
Stoich.:	ABC3D23E31 (1)
Weight, g/mol:	391.02416
ΔH_f, kcal/mol:	-141.11
Dipole, Da:	2.95
IP(EA), eV:	-8.42(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[(1R)-1-thiophen-2-ylbutyl]-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC[C@@H](C2)C(=O)NCCSC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations