Geometry & MOs

Info

ID:	184286
PubChem CID:	77139994
Reduced:	BrF2N3O6C17H18 (1)
Stoich.:	AB2C3D6E17F18 (1)
Weight, g/mol:	464.231122
ΔH_f, kcal/mol:	-299.59
Dipole, Da:	7.45
IP(EA), eV:	-10.11(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-[1-[6-hydroxy-2-methyl-5-(6-methylhept-5-en-2-yl)-3,4-dioxocyclohexa-1,5-dien-1-yl]indol-3-yl]propanoate

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)C2=CC(=C(C=C2F)Br)F)NCC(CO)O.C(=O)(C(=O)O)O

DOS

IR

Vibrations