Geometry & MOs

Info

ID:	398554
PubChem CID:	135033848
Reduced:	BrNSO2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	473.220223
ΔH_f, kcal/mol:	-51.6
Dipole, Da:	8.78
IP(EA), eV:	-8.16(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(5aR,10bS)-3-tert-butyl-4-methoxy-9-phenylmethoxy-5a,6-dihydro-[1]benzofuro[2,3-b]indol-10b-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1C)SC2=CC=C(C=C2)Br)O

DOS

IR

Vibrations