Geometry & MOs

Info

ID:	48429
PubChem CID:	10547910
Reduced:	SCl2O2N3H13C16 (1)
Stoich.:	AB2C2D3E13F16 (1)
Weight, g/mol:	382.152872
ΔH_f, kcal/mol:	-7.46
Dipole, Da:	7.35
IP(EA), eV:	-9.14(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CN2C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations