Geometry & MOs

Info

ID:

187332

PubChem CID:

77560324

Reduced:

SN4O6C35H44 (1)

Stoich.:

AB4C6D35E44 (1)

Weight, g/mol:

476.137509

ΔHf, kcal/mol:

-146.72

Dipole, Da:

4.64

IP(EA), eV:

 -8.09(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[7-carbamoyl-5-[(2-chloro-5-fluorophenyl)methyl]-3-methyl-4-oxopyrrolo[3,2-d]pyrimidin-6-yl]piperidin-3-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)CS(=O)(=O)NC(=O)C1=C2C1=C3C=CCC(C3C4=CC5=C(C=CC(=C5N4C2)C6CCCCC6)OC)NC(=O)C(=O)N(C)C

DOS

IR

Vibrations