Geometry & MOs

Info

ID:

160717

PubChem CID:

57389544

Reduced:

FN7O7C30H34 (1)

Stoich.:

AB7C7D30E34 (1)

Weight, g/mol:

632.206461

ΔHf, kcal/mol:

-206.0

Dipole, Da:

4.5

IP(EA), eV:

 -9.15(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-N-cyclopropylsulfonyl-1-[[2-(dimethylamino)-2-oxoacetyl]amino]-4-N-[(4-fluoro-3-methylphenyl)methyl]-5,6-dioxo-3,7-diazatricyclo[7.2.2.02,7]tridec-2-ene-4,9-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CNC(=O)C23CCC(CC2)(C4=NC(C(=O)C(=O)N4C3)C(=O)NCC5=CC(=C(C=C5)F)C)NC(=O)C(=O)N(C)C

DOS

IR

Vibrations