Geometry & MOs

Info

ID:	180358
PubChem CID:	76620816
Reduced:	ClSN2F3O3H10C16 (1)
Stoich.:	ABC2D3E3F10G16 (1)
Weight, g/mol:	520.220951
ΔH_f, kcal/mol:	-213.45
Dipole, Da:	3.49
IP(EA), eV:	-9.8(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopropylmethyl)-N-(3,4-dimethoxyphenyl)-4a,7,9-trihydroxy-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CC3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)O

DOS

IR

Vibrations